2 Index
2 Index#
2D diffusion in a plate 11-4.12
2D Fourier Transforms 9-, 9-12
2D Ising spin 12-6.10
Abcd matrix 7-9
Absolute value 1-4.3, 2-1.2, 2-1.4, 2-1.5, 2-4.2, 4-4, 4-5.1, 5-9.1, 6-1.1, 6-2.1, 6-3, 6-11, 6-15, 6-15.1 to 6-15.4, 6-16, 7-6.12, 9-5.4, 9-6, 9-6.1, 9-6.3 to 9-6.7, 9-8.3, 9-9.2, 9-9.6, 9-10.5, 9-12, 9-13.1, 9-13.2, 9-13.7, 9-14.4, 10-17, 11-2.1, 11-3.2, 13-3.6, 13-10.2
Activation energy 10-2.4, 10-5.5, 12-2.1, 13-6.1
Adiabatic change 3-11.1
Adjoint 7-4.7, 8-4.1
Adjoint matrix 7-4.7
AFM 1-9.25, 10-12.1, 10-13.2
Airy 9-12, 10-18.1, 10-18.2
Algae/ Algal bloom 10-15.7
Aliasing 9-9.5, 9-9.7
Ammonia inversion 11-10, 11-10.1, 11-10.2
Analysis of variance 13-6.6
Analytic Signal 9-10.5
Angular frequency 1-5.2, 6-21.1, 7-14.2, 7-15.2, 8-3, 9-1.2, 9-6.3, 9-6.7, 9-7.4, 9-9.6, 10-11, 11-6.4
Angular momentum 1-8, 1-9.9, 4-12.6, 5-5.3, 5-6.10, 6-2.2, 6-21, 7-, 7-5.3, 7-12.9, 7-15.2 7-16, 7-16.1 8-2, 8-3, 8-4.2, 8-4.3, 9-4.1, 9-8.6, 10-2.4, 10-3.2, 11-3.7, 11-6.4, 13-7.4
Anharmonic oscillator 3-3.16, 5-9, 8-2, 10-3.3, 11-10.1, 12-6.1
Animation 11-4.13
Annihilation 10-2.4
ANOVA 13-6.6
Antenna 7-3.1, 7-13.2, 10-15.1, 12-4.1
Anti-bonding 4-12.1, 4-12.5, 6-14
Apodising 9-5.2, 9-5.6, 9-9.7, 9-10.2
Arc length 4-7, 4-13.3, 6-6
Arcsin 1-6,
Argand 2-1, 2-1.4, 2-3.3, 7-2.4, 9-9.1
Arithmetic and Geometric progressions 1-12
Arithmetic mean 1-2.3
Arrhenius 1-9.27, 3-7.1, 10-5.5, 11-5.3, 13-6.1
Arrhenius equation 10-5.5, 11-5.3
Asymmetric boundary conditions 10-16.2
Atomic force microscope 1-9.25, 10-12.1, 10-13.2
Atomic orbital 4-10.2, 6-14, 7-3.2, 7-6.16
Atomic Structure Factors 2-4.2, 9-13.5
Atomic units 4-9.1, 7-3.2, 11-10.1, 11-10.2, 14-1.4
Autocatalytic reaction 10-3.3, 11-7, 12-5
Autocorrelation 9-5.2, 9-8, 9-8.1 to 9-8.7, 13-6.4
Auxiliary equations 10-12.3
Average as a summation 4-8.1
Average as an integration 4-8.2
Average energy 5-4.1, 5-5.1, 5-5.3, 5-9, 9-8.6, 10-12.1, 12-6.1, 12-6.7, 13-3.8
Average of a function 4-8.3, 5-6.10
Average value 1-2.3, 1-9.22, 1-9.27, 4-2.8, 4-8, 4-8.1 to 4-8.4, 5-4, 5-5.3, 5-6.10, 5-8.2, 8-2, 9-6.7, 9-8.2, 10-4.9, 10-10.5, 10-12.1, 11-4.10, 12-1.2, 12-3.1, 12-4.1, 12-6.1, 13-1.1
AX spectra 8-3.1
Back projection 9-14.4, 9-14.6, 9-14.7
Bacterial growth 11-7.7
Bacteriorhodopsin 6-18, 7-9
Base units 7-15.1
Basis set 4-9.2, 4-12.4, 5-8.1, 6-1.1, to 6-1.3, 6-2.1, 6-2.5, to 6-2.9, 6-4, 6-8.1, 6-9, 6-10.1, 6-12, to 6-15.2, 6-16, 6-18, 7-3.1, 7-3.2, 7-4.4, 7-5.6, 7-6.8, 7-6.9, 7-6.15, 7-7, 7-9, 7-12.4, to 7-12.9, 7-13.4, 7-14.2, 8-1, 8-2.1 to 8-2.4, 8-3, 8-4.1 to 8-4.3, 8-5.1, 9-3, 9-4, 11-5.6, 13-11
Basis sets in molecules 6-14
Basis vectors 6-2.1, 6-2.5, 6-9.1, 6-10, 6-12, 6-16, 7-6.13, 7-6.16, 7-12.8, 7-16, 8-2.1, 8-4.2
Beam scattering 11-3.6
Beam waist 7-10
Beating 1-5.2, 7-14.1, 9-9.5
Bending motion 7-14.5, 7-14.6
Benjamin Franklin 1-13.3
Bernoulli equation 10-9.4
Bernoulli Principle 10-11.7
Best plane 6-15.6
Bifurcation 11-1.4
Bimolecular reactions 10-4.1,
Binomial distribution 1-9.16, to 1-9.27, 3-3.13, 12-3.2, 13-8
Binomial expansion 1-9.4, 1-9.16, 5-6.8
Biological membrane 10-16.1
Bisection method 11-2.1, 11-3.8, 11-3.10, 11-10.1
Bjerrum s 11-3.4
Black-body 9-6.6
Bloch equations 10-13.3
Block diagonal 7-5.6, 7-12.9
Body-centred 2-4.2, 9-13.4
Bohr radius 4-12.1, 11-10.2
Boltzmann distribution 3-10, 4-8.1, 5-4.1, 5-5.3, 12-1.3, 12-6.1, 12-6.2, 13-3.8
Bond angle 6-10.1, 7-6.16, 7-14.6
Bond length 1-9.25, 4-12.4, 4-12.5, 6-8.3, 6-10.1, 7-6.14, 7-12.2, 7-14.5, 7-14.6, 7-15.1, 8-2.2, 9-13.5, 9-13.9
Bond rotation 5-5.1
Bonding 4-12.1, 6-14, 6-18, 7-2.4, 7-14.4
Bones 1-4, 3-9
Born-Oppenheimer Approximation 4-12.1, 7-3.2
Boundary value problems 10-1.3
Bra-ket notation 5-8.1, 7-5, 7-5.2, 8-2, 8-4.2
Brachistochrone 3-8.2
Bragg diffraction 9-13.3
Brownian motion 10-12.1
Butadiene 6-14, 7-3
Cable equation 10-11.3, 10-15.7
Calculating the structure factors 9-13.8
Calculus of Variations 3-8
CAT scan 9-14.1
Central Limit Theorem 13-2, 13-3, 13-6.2, 13-9
Centre of inversion 7-6.3, 7-6.4, 9-12, 11-10.1, 13-7.4
Centrifugal energy 11-3.7
Centrifuge 4-1.4, 10-6
Centripetal force 10-6
Centroids 4-8.2, 4-10.1
Chain reactions 4-8.1
Chain rule 3-4.1, 3-4.2, 3-11.4, to 3-11.8, 10-3.2, 11-6.2, 11-6.4, 11-7.2
Change of variables 4-11
Chaos 11-1.4, 11-2.1
Character 6-18, 7-4.4, 7-6.1, to 7-6.16
Character table 7-6.1, 7-6.2, 7-6.8, 7-6.9, 7-6.12, 7-6.13
Characteristic equation 7-2.1, 7-3, 7-5.7, 7-10, 7-12.6, 7-13.2, to 7-13.5, 7-14.2, 10-12.1, 10-13.1, 10-13.4, 10-14.1
Chauvenet s criterion 13-3.6
Chemical bond 4-12.4, 4-12.5, 7-, 7-14.2, 8-3, 11-4.7
Chemical kinetics 1-4, 3-1, 3-3.2, 7-4, 7-9, 7-12.4, 7-12.9, 7-13.1, 7-13.4, 7-13.4, 10-4, 10-5, 10-12, 10-13.2, 11-5.1, 11-7.7, 12-2.2, 13-10.1
Chemical Thermodynamics 3-3.12, 4-14
Chi squared 13-6.2, 13-6.4, 13-7.4
Chromatography 1-9.22, 1-9.25, 4-8.2, 10-15.8
Circulant determinant/matrix 7-3.1, 7-13.2, 9-9.3, 9-11.5
Classical harmonic oscillator 12-6.2
Cofactor 7-2.2, 7-4.9, 7-12.6
Colliding molecules 6-2.10
Comb of delta functions 9-6.6, 9-12
Combinations 1-9.1, 1-9.3, 1-9.4, 1-9.5, 1-9.6, 1-9.8, 1-9.9, 1-9.14, 4-9.2, 5-8.1, 5-9.1, 6-9.1, 6-12, 6-14, 6-15, 7-6.16, 7-12.9, 8-3, 8-4.2, 10-15.5, 10-17, 10-18.2, 12-2.2, 12-3.2, 12-6.1, 12-6.6, 12-6.7, 13-11
Commutation/commutator 7-5.3
Comparison of two means 13-3.5
Complement 1-9.13, 1-9.15
Complementary function 10-12.5 to 10-12.9
Complex conjugate 2-1 to 2-1.5, 2-4.2, 4-8.4, 4-9.2, 4-10.2, 4-12.1, 5-8.1, 5-8.2, 5-9.1, 6-2.9, 7-3.1, 7-3.2, 7-4.6 to 7-4.8, 7-5.2, 7-13.2, 8-1.1, 8-2, 8-4.1, 9-4, 9-6.1 to 9-6.8, 9-8.2, to 9-8.4, 10-18.2
Component of vector 6-6
Compound pendulum 10-11.1
Computed tomography 9-14.1
Concentration of ion pairs 11-3.4
Concentration profile 10-4.8, 10-15.1, 10-15.6 to 10-15.9, 10-16.1, 10-16.3, 10-18.4, 11-4.11
Conditional probability 1-9.14, 1-9.15
Confidence intervals 13-3, 13-3.5, 13-6.5
Confidence limits 13-3, 13-3.1, 13-3.2, 13-3.5, 13-6.2, 13-6.5, 13-7.6
Configuration 1-9.9, 5-5.1, 6-19, 6-19.1, 7-14.3, 12-6.1, to 12-6.5, 12-6.10
Confocal beam length 7-10
Conservation of momentum 6-1.5, 9-13.1, 10-10.4
Continuous basis set 8-4.3, 8-5.1
Convergence 1-2.2, 5-1.1, 5-3, 5-6.7, 5-7, 9-1.8, 10-8.1, 11-3.1, 11-3.3
Converting axes 6-9.1, 6-10.1
Convolution 9-5.6, 9-7.1 to 9-7.5, 9-8.2, 9-8.3, 9-10.1, 9-10.4, 9-12, 9-14.4, 10-16.1, 10-18.4
Convolution by fourier transform 9-7.4
Correlation coefficients 13-6.7
Cosh 1-5.6, 1-6, 3-3.10, 3-8.1, 4-2.7, 4-2.14, 4-8.3, 10-11.2, 12-6.9
Cosine and tangent 4-2.6
Cosine integral 4-2.6, 9-1.6
Coulomb integral 4-12.3
Coulomb potential 7-14, 7-14.2, 11-3.9, 11-4.5, to 11-4.7, 11-5.1, to 11-5.5, 11-6.3, 11-7, 11-9.1
Coupled springs 10-13.4
Coupling between two spins 7-12.9
Crank-Nicholson 11-4.13
Critical point 3-11.2
Critical temperature 3-11.2, 11-5.4
Cross product 3-4.10, 6-2.2, 6-2.3, 6-2.4, 6-5, 6-15, 6-15.1 to 6-15.4, 6-16, 6-17, 6-21, 7-15.2, 7-16.1
Cross-correlation 9-8, 9-8.2
CT scans 7-13.2, 9-5.4
Cycloid 3-8.2
Cylindrical coordinates 1-7, 4-10
Damped oscillator 10-12.1
Damped simple harmonic motion 10-12.1
Data Analysis 4-8.5, 5-4, 7-4.12, 9-6.7, 9-8, 9-10.1
Data fitting 13-8
Dating minerals 3-7.1
De Moivre s theorem 2-3, 2-3.2, 2-3.3, 9-6
Decoding 9-11.1, 9-11.2
Decomposition of borane carbonyl 10-2.2
Definite integral 3-1, 4-1.1, 4-1.2, 4-1.3, 4-2.1, 4-3.3
Definite integrals with substitution 4-3.3
Degeneracy 1-9.9, 4-8.1, 5-5, 5-5.2, 5-5.3, 5-6.10, 7-15.1, 8-3, 12-6.1
Degree of freedom 5-5.3
Del 10-15.5
Delta functions 1-11, 9-6.6, 9-7.4, 9-9.1, 9-12
Determinants 1-9.8, 4-11, 6-15.1, 7-1, 7-2 to 7-3.2, 7-4.13, 7-13.2
DFT via a Circulant Matrix 9-9.3
Diagonal matrix 6-9.1, 6-9.2, 7-4.3, 7-4.12, 7-5.4, 7-5.5, 7-12.6, 7-12.9, 7-13.2, 7-13.4, 7-14.2 to 7-14.5, 7-16.1, 13-11
Dielectric constant 11-3.4
Differential equations 4-1.4, 6-14, 7-8, 7-13.1, 7-13.3, 7-14.2, 8-1, 9-4.1, 9-5.4, 9-6.8, 10-1.1, 10-2.5, 10-10, 10-10.1, 10-12, 10-14.1, 10-14.2, 10-15.1, 10-15.2, 10-16.4, 10-17, 11-1.3, 11-2.1, 11-4.11, 11-5.1, 11-5.5, 11-5.6, 11-6.1, 11-7.6, 11-8.3, 11-9.1, 12-2.1, 12-3.1
Differential operator 3-3.1, 7-5.3, 10-11.5, 10-12.1
Differentiating and summing series 9-2
Differentiating constants 3-3.5
Differentiating dot and cross products 3-4.10
Differentiating exponentials 3-3.2
Differentiating integrals 3-3.15, 4-5.2
Differentiating logarithms 3-3.12
Differentiating by parts 3-5
Differentiating parametric functions 3-4.8
Differentiating powers 3-3.3, 3-3.4
Differentiating ratios of functions 3-4.5
Differentiating sine and cosine 3-3.9
Differentiating by substitution 3-3
Differentiating vectors 3-4.9, 3-4.10
Differentiating with Sympy 3-3.6
Differentiating x as a power 3-3.13
Differentiation 1-2.4, 1-9.23, 3-1 to 3-11 4-1.1, 4-2, 4-2.1, 4-8.2, 4-9, 4-9.1, 4-11, 5-8.2, 7-14.2, 10-12, 10-12.1, 10-12.6, 10-12.8, 11-5.6, 13-4
Differentiation summary 3-5
Differentiation with respect to a function 3-4.6, 3-8
Diffraction 1-5.5, 2-3.3, 2-4.2, 3-6, 5-1.2, 5-1.3, 6-15.4, 9-5.2 to 9-5.6, 9-6.6, 9-7.4, 9-12, 9-13, 9-13.1 to 9-13.8, 9-13.9, 10-18.1, 10-18.5
Diffraction from DNA 9-13.1
Diffraction intensity 2-4.2, 10-18.5
Diffusion 4-2.9, 9-5.4, 9-8.1, 9-8.6, 10-1.1, 10-2.4, 10-4, 10-4.3, 10-4.9, 10-5, 10-5.1, 10-5.3, 10-5.4, 10-5.5, 10-12.1, 10-15.1, 10-15.2, 10-15.6, 10-15.7, 10-15.8, 10-15.9, 10-16.1, 10-16.2, 10-16.3, 10-17, 10-18, 10-18.4, 10-18.5, 11-4.11, 11-4.12, 11-4.13, 11-5.5, 12-3.1, 12-3.2, 12-3.3, 12-4.1, 12-5, 13-6.1
Diffusion across an interface 10-16.1
Diffusion and chemical reactions 10-15.7
Diffusion equation 10-1.1, 10-5.4, 10-12.1, 10-15.1, 10-15.2, 10-15.6, 10-15.7, 10-15.9, 10-16.2, 10-16.3, 10-17, 10-18.4, 11-4.11, 11-4.12, 11-4.13, 11-5.5
Diffusion in a closed tube 10-15.9
Diffusion through a cell wall 10-5.3
Dihedral angle 6-18
Dipole 1-5.1, 6-21, 6-21.1, 7-6.12, 7-6.13, 9-4, 10-12.1, 10-18.5
Dipole-dipole energy transfer 7-13.2, 12-4.1
Dirac delta function 1-11
Direct product 4-8.4, 7-6.10, 7-6.11, 7-6.12, 7-6.13
Direction cosines 6-7
Discontinuous functions 9-1.7
Discrete basis sets 8-4.2
Discrete Fourier transform (DFT) 7-13.2, 9-, 9-5.6, 9-7.4, 9-9.1, 9-9.5, 9-9.6
Disease 4-8.2, 10-4.8, 11-7, 11-7.1, 11-7.2, 11-7.4, 11-7.5, 11-7.6, 12-5, 13-11
Dispersion 1-5.3, 4-8.1, 5-4, 9-5.3, 12-6.7, 13-1.2, 13-3, 13-6.4
Dissociation limit 10-3.3
Dissolution kinetics 10-4.8
Distance from a point to a line 6-15.3
Distance from a point to a plane 6-15.4
Distinguishable objects 1-9.3, 1-9.4, 12-6.7
DNA 1-9.19, 1-9.25, 1-9.27, 5-4.3, 5-5.2, 6-19 6-20, 7-9, 9-5.4, 9-12, 9-13.1, 10-13.2, 11-4.6, 11-5.3, 11-5.4, 13-3.5, 13-8, 13-11
DNA melting 5-5.2
Dot and cross products 3-4.10, 6-15
Dot product 1-1.2, 3-4.10, 6-2.1 to 6-2.11, 6-3 to 6-7, 6-8.1 6-8.3, 6-9.2, 6-10.1, 6-12 to 6-18, 6-21.1, 7-5, 7-5.8, 7-12.2, 7-12.7, 7-12.8, 7-13.4, 7-14.2, 7-16.1, 8-3, 8-4.3, 9-3, 9-9.3, 9-9.4, 9-13.2, 11-5.6, 11-8.4, 11-10.1, 11-10.2, 13-11
Driven simple harmonic motion 10-12.1
Dyadic 7-16.1
Eigenvalue 5-9, 7-2.4, 7-12.3 to 7-12.9, 7-14.2, 7-14.5, 8-2.2, 8-3, 10-1.4, 11-5.6, 11-10, 13-11
Eigenvalue-Eigenvector equation 7-3, 7-4, 7-10, 7-12.1, 7-12.3, 7-12.6, 7-14.2, 7-14.3, 8-2.1, 10-13.1, 13-11
Eigenvalues 6-14, 7-3.1 7-4, 7-4.8, 7-4.12, 7-5.6, 7-5.7, 7-6.16, 7-10, 7-12.3, 7-12.5, 7-12.6, 7-12.7, 7-12.9, 7-13.2, 7-13.4, 7-13.5, 7-14.2 to 7-14.6, 7-16.1, 7-16.2, 8-2, 8-2.1, 8-2.2, 8-2.4, 8-3, 9-9.3, 11-5.6, 11-10, 11-10.1, 11-10.2, 13-11
Eigenvectors 7-3.1, 7-4, 7-4.8, 7-5.7, 7-6.16, 7-12.3 to 7-12.9, 7-13.2, 7-13.4, 7-14.2 to 7-14.6, 7-16.1, 7-16.2, 8-2, 8-2.1 to 8-2.4, 8-3, 9-9.3, 13-11
El-Sayed Rules 7-6.12
Elastic 6-1.5, 6-2.1, 6-2.10, 9-8.5, 10-12.1, 11-3.6, 11-3.10, 11-3.11
Elastic scattering 6-1.5, 6-2.10, 11-3.6, 11-3.10
Electric dipole transition 7-6.12, 7-6.13
Electrochemical cell 3-3.8, 3-4.2, 10-16.2
Electrochemical potential 3-3.8
Electron spin 7-12.9, 10-2.4, 12-6.7
Encoding 9-11.1, 9-11.2, 9-11.4
Energy equation 4-12.4, 7-2.4, 7-13.2, 7-14.6, 9-9.3, 10-2.4, 10-10.2, 10-16.4, 11-5.3, 12-4.1
Energy Integral 7-3
Energy transfer 7-3.1
Enthalpy 3-3.8, 3-3.12, 3-4.6, 3-11.1, 3-11.5, 3-11.9, 4-14
Entropy 1-4, 1-9.23, 1-9.24, 3-3.8, 3-4.2, 3-11.1 to 3-11.9, 4-14, 4-14.1, 5-5, 5-5.3, 5-6.10, 7-13.5, 12-6.1, 12-6.5 to 12-6.9
Epidemic 11-7.1 to 11-7.6
Equilibrium 1-4, 1-4.5, 1-5.2, 1-8.1, 1-9.22, 3-3.12, 3-4.6, 3-6, 4-8.4, 5-5, 5-5.3, 5-9, 6-1.4, 7-6.12, 7-13.2, 7-14.2 to 7-14.6, 8-2.2, 9-5.3, 9-6.6, 9-8.6, 10-2.2, 10-2.5, 10-3.2, 10-3.3, 10-4.2 to 10-4.6, 10-6, 10-10.6, 10-11.2, 10-11.3, 10-12.1, 10-13.3, 10-13.4, 10-15.8, 10-15.9, 10-16.2, 11-4.6, 11-5.3, 11-6.4, 11-8.1, 11-8.4, 12-6.2 to 12-6.7, 13-7.4
Equilibrium constant 1-4.5, 3-3.12, 3-4.6, 10-2.2, 10-4.2 to 10-4.6, 10-15.8
Equilibrium points 10-2.5, 11-8.1
Equipartition Theorem 10-12.1, 12-6.2, 12-6.3
Error function 4-2.9, 10-9.3, 10-16.1, 13-3.6
Error propagation 13-4.1, 13-6.4
Estimation 1-2.2, 1-13, 1-13.2, 1-13.4, 9-8.4, 11-4.8, 12-6.2, 12-6.3, 13-1.2, 13-5
Ethanol 6-1.4, 7-7, 7-16.1, 7-16.2, 10-2.4
Euler angles 7-7
Euler or Cauchy eqns 10-14.1
Euler’s … 2-1.5, 2-3.3, 2-4.2, 3-11.8, 7-3.1, 9-10.5, 10-13.3, 10-14.1, 11-4.1, 11-4.3, 11-5.1
Euler’s chain rule 3-11.8
Euler’s equation 2-4.2, 9-10.5
Euler’s method 11-4.3, 11-5.1
Euler’s theorem 2-1.5, 2-3.3, 2-4.2
Euler-Lagrange equation 3-8
Euler-Maclaurin 5-6.7, 5-7, 11-3
Euler–Cromer 11-6.5
Exact and non-exact differentials 3-11.1
Exact equations 10-9.2
Examples of molecules 6-18, 7-6.4
Examples of Point Groups 7-6.5
Exchange integral 4-12.4
Excited state 1-3, 1-9.14, 1-9.25, 4-8.2, 5-9, 7-6.12, 7-9, 7-13.1, 7-13.2, 9-6.7, 9-7.1, 9-8.1, 10-2.3, 10-2.4, 10-3.1, 10-4.3, 10-18.5, 11-4.11, 12-2.3, 12-2.4, 12-3.1, 12-3.4, 12-4.1, 13-7.4
Excited state forming triplet 12-2.4
Exclusive events 1-9.14
Expansion coefficients 5-8.1, 7-12.8, 9-1.2
Expectation values 4-8.4, 5-8.1, 6-12, 7-4.8, 7-6.16, 8-2.1, 8-2.3, 8-3
Exponential decay 7-13.1, 9-5.6, 9-6.3, 9-6.7, 9-9.6, 9-9.7, 9-10.3, 10-12.1, 10-18.1, 12-3.4, 13-10.1
Exponential expansion 5-6.6, 7-13.3, 9-3
Exponential representation 9-1.4, 9-3
Exponential series 1-3, 2-3.3, 5-3, 9-9.5
Exponentials 1-5.6, 2-4.2, 3-3.2, 3-3.7, 4-2.5, 4-2.7, 4-7.2, 4-12.1, 5-1.2, 5-4.1, 9-6.3, 9-8.6, 9-9.2, 9-9.3, 9-9.4, 9-10.5, 10-11.2, 10-11.5, 10-12, 10-12.1 to 10-12.8, 10-13.3, 10-16.1, 10-16.2, 11-1.3, 12-6.10, 13-6.1, 13-10.1
Extent of reaction 4-8.1
Factorials 1-1.3, 1-3, 1-8.1, 1-9.16, 1-9.18, 1-9.23, 1-9.25, 3-3.7, 3-3.13, 3-3.16
Fast Fourier transform (FFT) 7-13.2, 9-7.3, 9-7.4, 9-8.7, 9-9.2 to 9-9.6, 9-10.3, 9-10.5, 9-12, 9-14.7, 10-18.4
Feedback 7-10, 10-3.1, 10-5.5, 10-12.1, 11-7.5, 13-6.1
Femtosecond 5-9, 7-9, 7-13.1, 9-5.7, 9-7.4, 9-8.4, 9-11.4, 10-15.1, 10-18.5
Fermion 1-9.9
Feynman’s Trick (Integration) 4-5.4,
Fick’s first law 10-5.3, 10-15.6, 10-15.7
FID (Free induction decay) 9-5.3, 9-9.5, to 9-9.8, 9-10.5, 10-13.3
Filtering 9-5.4, 9-9.7, 9-10, 9-10.2, 9-10.3, 9-14.4
Filtering and apodising 9-10.2
Finite wave train 9-6.3
First-order 1-2.4, 1-3, 1-4, 3-3.2, 4-1.4, 5-8.1, 5-8.2, 7-13.1, 7-13.2, 10-1.4, 10-2.4, 10-4.7, 10-5.5, 10-9.2, 10-9.3, 10-12.3, 10-13.3, 10-15.1, 11-4.1, 11-5.5, 11-8.1, 12-2.1, 12-3.4, 12-6.8
Fitzhugh-Nagumo equations 11-8.1, 11-8.3
Flow 1-9.22, 9-4.1, 9-5.3, 9-5.4, 9-8.5, 9-11.4, 9-11.5, 10-4.7, 10-5.1 to 10-5.5, 10-15.5, 10-15.8, 11-4.11, 11-4.12, 11-6.3, 11-7.3, 12-2.1, 12-5
Flow and chemical reaction 10-15.8
Fluorescence decay 13-8
Fluorescence lifetime 10-2.3
Fluorescence yield 1-9.14, 10-2.3, 10-4.3, 11-5.3, 12-2.4
Flux 10-5, 10-5.3, 10-15.6, 10-15.8, 10-16.2, 11-4.12
Forster & Forster energy transfer 7-13.2, 11-5.3, 12-4.1
Forward transform 9-5.1, 9-6, 10-18
Four point DFT 9-9.2
Fourier Series 1-5.2, 1-5.5, 7-3.2, 7-13.2, 8-5.1, 9-1.1 to 9-1.8, 9-2.1, 9-3 9-4, 9-5.3 to 9-5.7, 9-6.3, 9-8.5, 9-9.2, 10-15.2, 10-15.5, 10-17, 13-7.3
Fourier Slice Theorem 9-14.6
Fourier Synthesis 9-13.2, 9-13.6 to 9-13.9
Fourier transform equations 9-5.1, 9-6
Fourier Transform method 9-7.5, 10-18
Fourier transforms 9-, 9-1.8, 9-5 to 9-14, 10-18, 10-18.4
Fractional derivatives 3-3.16
Franck-Condon 1-9.25, 5-9, 7-6.12
FRAP 10-16.1, 11-4.13
Free energy 1-4.5, 3-4.6, 3-11.9, 5-5, 7-13.5, 11-8.1, 12-6.5
Frequency doubling 9-8.4
FRET 12-4.1
FTIR spectrometer 9-5.2, 9-6.3, 9-8.1, 9-8.7
Function-of-a-function 3-4.1, 3-4.2
Functions of matrices 7-5.5
Gain 7-6.12, 7-10, 9-5.7, 9-13.8, 10-1.4, 10-3.1, 10-5.5, 10-12.1, 12-6.5
Gamma function 1-8, 4-8.2, 13-6.4
Gaussian distribution 1-9.25, 4-8.2, 5-9, 12-1.1, 12-3.3, 13-6.2
General Equation of Motion 10-10.2
Generalized Fourier series 9-3, 9-4
Generating functions 9-4.1
Genes 1-9.1, 1-9.27
Genetics 1-9.1, 1-9.27, 1-9.27
Geometric mean 1-2.3
Geometrical progression 1-12
GFG matrix 7-14.4, 7-14.6
Gibbs energy 3-11.9, 6-1.4, 10-4.6
Gibbs phenomenon 9-1.7, 9-1.8, 9-3.1
Gibbs-Helmholtz equation 3-4.6
Gillespie method 11-4.10, 12-2.1, to 12-2.4, 12-3.4
Golden ratio 1-2.4, 10-13.4
Golden section 1-2.4
Gradient Expansion method 13-7.1
Gravitational potential 3-11.1, 10-18.2
Green s function 4-14.2
Group theory 4-1.3, 4-8.4, 6-14, 7-4.4, 7-4.12, 7-5.3, 7-5.6, 7-6.1 to 6.8, 7-6.15, 7-12.3, 7-13.4
Group velocity 1-5.3, 10-16.4
Hadamard transform 9-11.1, 13-1.3
Haemoglobin 6-2.2, 6-15.6
Hamilton’s Equations of Motion 10-3.6
Hamiltonian operator 4-12.1, 5-8.1, 5-9, 7-12.3, 8-2.2, 10-16.4
Hard sphere potential 4-5.1
Harmonic mean 1-2.3
Harmonic oscillator 1-5.2, 1-8.1, 1-9.25, 4-8.4, 4-8.5, 5-5, 5-8.1, 5-9, 6-12, 6-13, 7-14.3, 8-1.1, 8-2, 8-2.1 to 8-2.4, 9-3, 9-4.1, 9-6.6, 9-6.7, 10-1.1, 10-3.4, 10-10.2, 10-10.5, 10-11.4, 10-11.5, 10-12, 10-14.2, 10-18.2, 11-5.6, 11-6.4, 11-10, 12-6.1, to 12-6.4
Hartree 7-3.2, 11-10.2
Heat capacity 3-3.8, 3-11.2, 3-11.5, 4-14.1, 5-5.2, 5-6.10, 10-5.5, 12-6.1 to 12-6.8, 12-6.9, 12-6.10
Heisenberg uncertainty principle 7-5.3, 9-5.6, 9-6.6, 10-11.4, 10-11.5
Helix-coil transition 7-13.5
Herd immunity 11-7.4
Hermite equation 10-14.2
Hermite polynomial 1-8.1
Hermitian 7-3, 7-4.8, 7-12.7, 7-12.9, 7-13.2, 7-13.4, 7-14.2, 7-16.1, 8-2.4, 8-3, 8-4.1
Hermitian matrix 7-4.8
Herzberg-Teller 7-6.12
Heterozygous 1-9.27
Heun’s method 11-4.4, 11-4.11
Hilbert Transform 9-10.5
Homogeneous equations 10-9.1
Homogeneous solution 10-12.1, 10-12.5
Homozygous 1-9.27
Horizontal mirror plane 7-6.3
How the Fourier transform works 9-6.4
Huang-Rhys 1-9.25
Huckel 6-14, 7-3, 7-6.16, 7-13.2, 9-9.3
Hybrid orbitals 6-12, 6-14
Hydrogen atom 4-10, 4-12.1, 4-12.3, 8-5.1, 10-11.4, 10-14.2, 11-10.1
Hydrogen iodide equilibrium reaction 10-4.5
Hyperbolic functions 1-5.6, 1-6, 2-3.1, 3-3.10, 4-2.7
Hypothesis testing 13-3.4
ijk vectors 6-4, 6-15.1
Ice forming 10-5.2
Ideal gas 1-1.1, 1-4, 1-9.24, 3-11.1 to 3-11.8, 4-1.2, 4-12.6, 4-14.1, 5-5.3, 5-6, 10-6
Identical objects 1-9.3
Identity 1-9.27, 1-10.1, 3-8, 4-12.6, 5-1.3, 5-9, 6-6, 6-15, 6-17, 7-3, 7-4.2, 7-4.5, 7-5.3, 7-6.3, 7-6.6 to 7-6.16, 7-10, 9-9.4, 9-10.5, 10-4.5
Identity matrix 7-4.2, 7-6.8, 7-10, 9-9.4
Identity operation 7-6.8, 7-6.9
Im 5-9, 7-14.3 to 7-14.5, 7-15.4, 9-14.7, 10-2.1, 10-13.3, 11-4.13
Impact parameter 6-1.5, 11-3.7, 11-3.9, 11-3.10, 11-3.11, 11-4.10
Implicit differentiation 3-4.7
Importance sampling 12-1.3, 12-1.3
Improper and undefined integrals 4-2.10
Improper rotation 7-5.3, 7-6.3
Inclusive probability 1-9.13, 1-9.14
Indefinite and Definite Integrals 4-1.2
Independent events 1-9.14, 7-3.2, 10-4.9
Indexing 7-1, 7-14.3, 9-13.4
Indistinguishable 1-9.3, 1-9.9, 1-9.13, 7-6.2, 7-6.3, 9-9.7, 9-12, 10-15.9, 12-2.2, 13-9
Indistinguishable objects 1-9.9
Indistinguishable state 7-6.3
Inelastic 6-1.5
Inertia tensor 7-16.1
Infection 4-8.2, 10-4.8, 11-7.2 to 11-7.5
Infinite basis set 6-12
Inflection 3-7, 3-7.1
Inflection points 3-7, 3-7.1
Initial value problems 10-1.2, 11-9.1
Inner product 6-2.9, 8-4.1, 8-4.3
Inner products 4-2.2, 6-2.9, 8-4.3
Integral powers of square matrices 7-5.4
Integrals with infinite limits 4-2.11
Integrating exponentials 4-2.5
Integrating factors 10-9.3
Integrating powers of x 4-2.1
Integrating sine 4-2.6
Integration 3-1, 3-3.15, 3-5, 3-8, 3-8.1, 3-8.2, 3-11.1, 4-, 5-4, 5-5.3, 5-6.7, 5-8.1, 5-8.2, 7-3.2, 7-6.12, 7-13.1, 7-13.2, 7-15.3, 8-1, 9-1.1, 9-1.5, 9-1.6, 9-2, 9-3.1, 9-4, 9-5.5, 9-6, 9-6.2, 9-6.3, 9-6.5, 9-6.6, 9-6.7, 9-7.1, 9-7.4, 9-8.4, 9-8.7, 9-14.1, 9-14.2, 10-1.1, 10-1.2, 10-1.4, 10-5.3, 10-5.4, 10-9.1, 10-10.1 to 10-10.5, 10-11, 10-12.1, 10-12.5, 10-14.2, 10-15.1, 10-15.5, 10-16.1, 10-16.4, 10-17, 10-18.1, 10-18.4, 11-, 11-1.3, 11-2.1, 11-3.1 to 11-3.10, 11-4.3 to 11-4.13, 11-5.1, 11-5.5, 11-6.2, 11-6.4, 11-7, 11-7.6, 11-8.1, 11-9.1, 11-10.1, 12-1.1, 12-1.2, 12-1.4, 12-6.2, 13-3.1, 13-9
Integration by parts 4-2, 4-5, 4-5.1, 9-1.6
Integration with SymPy 4-2.13
Interferometer 9-5.2, 9-8.1, 9-8.4, 9-8.7, 9-8.8
Internal energy 1-9.24, 3-11.1, 3-11.7, 3-11.9, 4-14, 5-5.2, 5-5.3, 5-6.10, 6-1.5, 12-6.1, 12-6.5
Intersystem crossing 1-9.14, 7-6.12, 7-13.2, 10-2.3, 10-2.4, 12-2.4
Inverse functions 1-1.5, 1-6, 3-3.10
Inverse matrix 7-4, 7-4.9, 7-13.4
Inverse of a square matrix 7-4.9
Inverse operators 10-12.5, 10-12.6, 10-12.7, 10-12.8, 10-12.9
Inversion 4-8.1, 7-5.3, 7-5.5, 7-6.3, 7-6.4, 7-6.15, 7-12.2, 9-11.5, 9-12, 10-3.1, 10-12.1, 11-10.1, 11-10.2, 13-7.4, 13-11
Inverted pendulum 10-11.2
Iodine recombination 10-2.1
Irrational numbers 1-2
Irreducible representation (irreps) 4-8-4, 7-5.6, 7-6.2, 7-6.9 to 7-6.16
Ising spin 12-6.1, 12-6.5, 12-6.6, 12-6.8, 12-6.9, 12-6.10
2D Ising spin 12-6.10
Ising spin energy 12-6.6
Isocline 11-6.3
Isoclines 11-6.3, 11-6.4, 11-7.3
Isotherm 1-9.21, 3-4.6, 3-11.2, 4-11, 4-12.2, 6-2.10, 7-8, 7-16.1, 9-14.4
Jacobians 4-11, 7-8
Kittel 5-5.2, 11-5.3
Kronecker delta 1-11, 4-9.2, 5-8.1, 6-13, 8-1.1, 8-3, 10-15.7
L Hopital s rule 3-6, 5-1.3, 5-6.10, 6-21.1, 9-6.3, 9-8.6, 10-13.2, 10-13.3, 10-15.5
Laser cavity 7-10, 9-6.3, 10-3.1, 10-12.1
Laser gain 10-3.1
Laser pulses 5-9, 9-8.1, 9-8.4, 9-11.4, 10-12.1, 10-15.8
Lattice 1-5.5, 2-4.2, 6-15.4, 6-15.5, 6-16, 9-5.4, 9-5.7, 9-12, 9-13.1 to 9-13.3, 12-6.1, 12-6.5, 12-6.10
Least absolute deviation 13-6.1, 13-10.2
Least squares 6-15.6, 9-1.2, 9-3, 9-7.2, 9-8.6, 9-10.1, 9-10.3, 9-13.2, 9-13.4, 9-13.7, 11-3.5, 13-1.2, 13-4, 13-6.1 to 13-6.7, 13-7.1 to 13-7.4, 13-8, 13-10.1, 13-10.2, 13-11
Least squares fit to a plane 13-7.2
Least squares method for a polynomial 13-7.3
Legendre polynomial 9-4, 9-4.1
Leibniz’s rule 3-3.15, 3-5
Leibniz’s formula 4-5.2
Length of a curve 4-, 4-13.4
Lennard-Jones potential 6-1.5, 11-3.7, 11-3.10, 11-4.3, 11-4.10
Levenberg-Marquardt method 13-7.1, 13-10.1
Limit-cycles 11-8.4
Line integrals 4-13.1, 4-14.2
Linear combination of atomic orbitals 4-12.1
Linear first-order equations 10-9.2, 10-9.3
Linear kinetic schemes 7-13.1
Linked pendulums 7-14
Lock-in amplifier 9-6.5
Log expansion 5-6.7
Logarithms 1-4, 3-3.12
Logistic equation 10-3.2, 11-1.4,
Longitudinal wave 1-5.2
Lotka-Volterra 11-8.3
Luminescence heating curves 3-7.1
Maclaurin series 5-6.1, 5-6.2, 5-6.5, 7-5.5, 9-1.1
Magnetic dipole 1-5.1, 6-21, 6-21.1
Magnetisation 5-6.10, 6-21.1, 7-5.5, 9-5.3, 10-13.3, 12-6.1 to 12-6.10
Magnitude of a vector 6-2.7
Mantissa 11-1.1
Markov Chains 7-13.4
Master equation 7-13.2
Mathematical Group 7-6.1, 7-6.6, 7-6.7
Matrices 1-1.2, 1-9.27, 4-1.3, 6-2.5, 6-2.8, 6-2.9, 6-2.10, 6-4, 6-6, 6-9.1, 6-10.1, 6-11, 6-14, 6-15.6, 7-1 to 7-16.2, 8-1, 8-2, 8-3, 8-4, 9-4, 9-5.5, 9-9.2, 9-9.3, 9-9.4, 9-9.6, 9-11.2, 9-11-3 to 9-11.5, 9-14.1, 10-13.4, 11-4.12, 11-5.6, 12.5, 13-7.1 to 13-7.6, 13-10.1, 13-11
Matrix diagonalization 7-12.6
Matrix elements 7-6.16, 8-2, 8-2.2, 8-2.4, 8-3
Matrix multiplication 6-2.9, 6-13, 6-14, 7-4.5, 7-5, 7-5.2, 7-6.6, 7-6.8, 7-7, 7-12.2, 9-9.3, 9-9.4, 9-9.6, 13-7.6, 13-11
Matrix sum 7-5.1
Matrix transpose 7-4.5, 7-4.12
Maxima 3-4.8, 3-6, 3-7, 5-1.3, 9-13.1, 11-8.1
Maximum Likelihood Method 13-5, 13-6.2
Maxwell distribution 12-6.4, 12-6.6
Maxwell-Boltzmann distribution 1-9.26, 13-2
Mean distance diffused 10-15.8, 10-16.1
Mean free path 4-8.2, 9-6.7, 10-4.9
Mean or Average value 13-1.1
Mean value 1-9.16, 1-9.22, 1-9.25, 4-2.8, 4-8.1c to 4-8.5, 4-10.1, 5-9, 9-8.4, 9-10.1, 12-1.1 to 12-3.3, 13-1.1, 13-1.2, 13-3, 13-3.1 to 13-3.5, 13-4, 13-5, 13-6.2, 13-8, 13-10.1, 13-11
Mean value theorem 4-2.8
Mean value theorem for integrals 4-2.8
Mean-value method 12-1.1 to 12-1.3
Metropolis algorithm 12-1.3, 12-6.1, 12-6.2, 12-6.6, 12-6.7, 12-6.10
Michaelis-Menten scheme 11-5.4
Michelson interferometer 9-5.2, 9-8.4, 9-8.7
Microchannels 11-5.4
Mid-point rule integration 11-3.2
Miller indices 2-4.2, 9-13.1 to 9-13.5
Minima 3-7, 5-5.1, 11-8.1, 11-10.2, 13-6.2, 13-10.1
Mirror planes 7-6.3 to 7-6.6, 7-6.15, 7-6.16, 9-12
Mixed derivatives 3-11.3
Modal matrix 7-13.5, 7-14.2, 7-16.2, 9-5.7
Modulo 1-1.8, 1-10.1 to 1-10.4
Modulus 1-10.4, 2-1, 2-1.4, 2-1.5, 2-3.3, 5-9.1, 9-8.6, 9-9.6, 10-11.1
Modulus and Argument 2-1.4
Mole fraction 4-8.1
Molecular beam 6-1.5, 11-3.6, 11-3.11
Molecular orbitals 1-9.8, 4-8.4, 4-12.1, 6-9, 6-12, 6-14, 7-3, 7-6.1, 7-6.2 to 7-6.16, 7-12.5, 7-14.4
Molecular vibrations 1-5.2, 7-6.1, 7-6.12 to 7-6.16, 7-14.2, 11-10.2
Moment of inertia 4-10.1, 6-21.1, 7-12.2, 7-15.1 to 7-15.4, 7-16.1, 7-16.2, 10-11.1, 10-11.5
Monoclinic crystal 6-8.3, 6-10.1, 6-11, 6-16
Monolayer 1-13.3, 6-1.4, 12-5
Monte Carlo methods 11-7.1, 12-1.2, 12-2.1, 12-3.1
Monte Carlo simulations 12-2.2
Monte-Carlo integration 12-1.1
Morse potential / oscillator 5-9, 5-9.1, 8-1 8-2.1, 10-3.5, 10-18.2, 11-4.3, 11-10.1, 13-7.4
Most probable state 1-9.23
Motion with a constant force 10-11.3
Moving average 7-6.9, 9-7.1, 9-10.4
Multinomial distribution 1-9.26
Multiple integrals 4-10, 4-11
Multiplying and dividing complex numbers 2-1.3
Nearest neighbours 4-5.3
Nerve impulses 11-8.3
Newton Diagrams 6-1.5, 6-2.10
Newton s law of cooling 10-5.5
Newton s laws 7-14.3, 10-8, 10-10.1, 11-4.6, 11-4.9
Newton-Raphson 3-4.8, 3-7.1, 3-9.1 to 3-9.3, 7-3, 10-8.1, 11-1.1, 11-2.1, 11-7.4, 11-10.1
NMR 1-5.1, 1-9.21, 5-5.1, 6-1.2, 6-18, 6-21.1, 7-5.5, 7-12.9, 8-1, 8-2 8-3, 9-, 9-5.1 to 9-5.7, 9-8.5, 9-8.6, 9-9.5, 9-9.6, 10-13.3, 13-11
NMR spectrum with two spins 8-3
Noise 1-3, 1-9.27, 9-5.2 to 9-5.7, 9-6.5, 9-7.2, 9-8, 9-8.4 to 9-8.6, 9-9.3, 9-10, 9-10.1 to 9-10.4, 9-11.3, 9-11.4, 9-14.4, 10-15.4, 13-1.3, 13-3.6, 13-9, 13-10.1, 13-11
Non-integrability 4-2.9
Non-linear equations 7-14, 11-6.4
Non-linear least squares 13-7.1, 13-10.1, 13-11
Non-orthogonal axes 6-8.2, 6-9.1
Non-orthogonal vectors 6-8.2
Norm 2-1.4, 9-8.4, 13-3.1, 13-3.3, 13-6.4
Normal distribution 1-9.25, 12-3.3, 13-1.1, 13-2, 13-3.1, to 13-3.6, 13-5, 13-8, 13-9
Normal mode vibration 11-10.2
Normal mode vibrations 7-6.1, 7-6.14 to 7-6.16
Normal modes 1-5.2, 4-8.4, 5-5.3, 7-4.9, 7-6.14 to 7-6.16, 7-14.1 to 7-14.6, 10-15.4, 10-17
Normalization constant 1-8.1, 4-10.2, 5-9.1, 6-3, 7-12.9, 8-4.3, 9-4
Normalized vectors 6-18
Null matrix 7-4.1, 7-4.10, 7-5.3, 7-12.6
Nullcline 11-6.1, 11-6.3, 11-6.4, 11-7.2, 11-7.3, 11-8.1, 11-8.3
Number average 5-4.2
Numerical accuracy 5-6.2, 8-2, 11-2.1
Numerical approximation 11-4.1
Numerical integration 5-6.7, 8-1, 10-11, 11-1.3, 11-3.1, 11-4.7, 11-5.5, 11-7.6, 11-10
Numerical integration of the Schroedinger equation 11-10
Numerical solution 7-13.2, 10-1.4, 10-18.5, 11-, 11-4.1, 11-4.11, 11-4.13, 11-5.1, 11-5.5, 11-5.6, 11-6.2, 13-10.1
Numerical solution of the Diffusion equation 11-4.11
Numerically calculating a Fourier series 9-3.1
Numerov algorithm 11-5.5, 11-5.6
Nyquist Critical Frequency 9-9.5, 9-9.7
Object-image 3-10.2, 7-9.1
Odd and even functions 4-1.3, 9-1.5, 9-1.6
One-dimensional diffusion 10-15.6, 10-15.9, 12-3.3
Operators 6-12, 7-5.3, 7-6.1 to 7-6.16, 7-12.3, 8-3, 8-4.4, 10-12.1, 10-12.5 to 10-12.9, 11-5.1
Optical autocorrelator 9-8.4
Orbit 10-2.4, 10-3.4, 11-1.4, 11-3.7, 11-3.11, 11-4.10
Orthogonal matrices 7-4.12, 7-7
Orthogonal polynomials 1-8.1, 8-5.1, 9-4, 9-4.1
Orthogonal unit vectors 6-2.5, 6-14
Orthogonal vectors 6-8.2, 7-6.15, 9-3
Orthonormal 5-8.1, 6-2.3, 6-4, 6-5, 6-6, 6-8.1, 6-9, 6-12, 6-13, 6-14, 7-3.2, 7-4.12, 7-12.8, 8-3, 8-4.1, 8-4.2, 9-3
Orthonormal basis set 6-12, 6-14
Orthorhombic 2-4.2, 6-15.5
Outer products 8-4.4
Outliers 1-2.3, 13-3.6, 13-6.1, 13-10.2
Overlap integral 4-12.1 to 4-12.4
Overtone 1-5.4, 10-17
Para-hydrogen 10-4.6
Parallel vectors 6-2.4
Paramagnetic spins 5-6.10
Parametric equations 3-4.8, 3-4.9, 4-, 4-6
Parseval 9-6.6
Partial derivatives 3-3.8, 3-11.1 to 3-11.9, 4-11, 4-13.6, 4-14.1, 13-4, 13-4.2
Partial Derivatives in Thermodynamics 3-11.9
Partial differential equations 10-1.1, 10-15.1, 10-17
Partial differentiation 3-3.8, 3-11.3
Partial fractions 1-5.4, 4-2, 4-2.4, 4-8.5, 5-5.3, 5-8.2, 8-1, 8-2.2 to 8-2.4, 8-5.1, 9-13.4, 10-3.1, 10-3.3, 10-4.1, 10-4.8, 10-11.4, 10-15.4, 11-10, 11-10.1, 13-8
Particle in a circular well 10-15.4
Particle in a gravitational potential 10-18.2
Particle in a one-dimensional box 5-8.2, 10-11.5, 10-15.3
Particle on a Ring 7-8, 10-11.6, 10-15.4
Particular integral 1-9.1, 5-5, 5-5.3, 5-6.10, 10-12.1, 10-12.5 to 10-12.9
Path independent integrals 4-13.6
Path integrals 4-13, 4-14
Pauli exclusion principle 1-9.9
PCR (Polymerise Chain Reaction) 11-5.3
Principal component analysis (PCA) 1-9.3, 5-4.3, 5-8.2, 6-18, 6-20, 9-4.1, 11-4.12, 11-5.3, 11-5.4, 13-6.1 13-7.2, 13-11
Pendulum 1-5.2, 5-6, 7-14.1 to 7-14.3, 10-1.1, 10-3.2, 10-10.2, 10-10.7, 10-11.1, 10-11.2, 10-12.1, 11-6.4, 11-6.5
Percolation 12-5
Periodic boundary conditions 10-15.1, 12-6.10
Permutations 1-9.1 to 1-9.3, 1-9.4, 1-9.9, 1-9.16, 1-9.23
Perpendicular axis theorem 7-15.4
Perpendicular vectors 6-2.3
Perturbation calculation 5-8.2
Perturbation theory 5-8
Pfaffians 3-11.1
PH 9-1.6, 9-14.7, 10-4.3, 11-4.13, 11-8.3
Phase and group velocity 1-5.3
Phase angle 9-13.7, 9-13.8, 10-2.5, 10-3.2, 10-10.5, 10-13.4, 11-6.1 to 11-6.4, 11-7.2, 11-7.3, 11-8.1, 11-8.3
Phase portrait 10-2.5, 10-3.1, 10-3.2, 11-6.2, 11-6.3
Phase problem 2-4.2, 9-13.2
Phase sensitive detection 9-6.5
Phenotype 1-9.27
Phosphorescence 3-7.1, 7-13.2, 9-6.7, 10-2.4, 12-4.1, 13-3.8
Phosphors 3-7.1
Photograph 51 9-13.1
Photon and particle counting 13-8
Photon counting 2-4.2, 12-3.4, 13-3.8, 13-5, 13-6.4, 13-8
Photosynthesis 7-3.1, 7-13.2, 12-4.1
Plancherel 9-6.6
Plane polar coordinates 1-7, 4-7, 4-11, 4-13.4, 7-8, 10-11.5, 10-15.4
Pochhammer symbol 1-8
Point group 7-, 7-5.3, 7-6.1 to 7-6.16, 7-14.6, 11-10.2, 13-7.4
Poisson distribution 1-9.22, 1-9.25, 4-8.2, 10-13.2, 12-2.1, 12-2.2, 13-2, 13-3.7, 13-5, 13-8
Polar angle 1-7, 2-1.4, 2-1.5, 2-3.2, 4-10.2
Polar coordinates 1-7, 4-7, 4-7.1, 4-9, 4-10.2, 4-11, 4-13.4, 6-6, 6-9, 7-8, 9-12, 9-14.2, 9-14.4, 10-11.5, 10-15.4
Polarizability 7-6.12
Polarizers 13-6.1
Polyene 7-3, 10-11.4
Polymerase Chain Reaction 11-5.3
Polymers 5-4.2, 11-4.6
Polynomials 1-8.1, 4-2.11, 4-8.5, 7-3, 8-5.1, 9-3, 9-4.1, 10-12.1, 10-12.9, 10-14.2, 10-14.3, 10-18.4, 11-1.3, 13-6.1
Population Dynamics 10-3.3
Population inversion 10-3.1, 10-12.1
Population variance 13-1.2
Position vectors 6-1.3
Power series 3-3.16, 5-1.1, 5-2.1, 5-3, 5-6.1, 7-13.4, 10-14.2
Precession 6-21.1, 10-13.3
Predator-prey 11-5.1, 11-8.1, 12-2.1
Principal axis 7-, 7-6.3, 7-6.4, 7-6.8, 7-6.13, 7-6.15, 7-13.4, 7-16.1, 13-7.4, 13-11
Principal value 2-3.2, 2-4.2
Probability 1-3, 1-9.1 to 1-9.27, 3-3.15, 4-2.3, 4-8, 4-8.1, 4-8.2, 4-10.2, 4-12.1, 5-4.3, 5-5, 5-5.1, 5-9, 5-9.1, 7-3.2, 7-6.12, 7-13.2, 8-4.3, 10-4.9, 10-10.5, 10-13.2, 10-16.4, 10-18.2, 10-18.5, 11-10, 12-2.1, 12-2.2, 12-3.2 to 12-3.4, 12-6.1, 12-6.4, 12-6.6, 13-3, 13-3.1, 13-3.6, 13-5, 13-6.2, 13-6.4, 13-7.4, 13-7.5, 13-8, 13-9, 13-10.1
Probability amplitude 8-4.3
Probable error 13-3.1
Product rule 3-4.3, to 3-4.7, 3-7.1, 3-11.1, 6-21, 7-6.7, 7-6.8, 10-14.1
Projection operators 7-6.16, 8-4.4
Projections 6-4, 6-6, 6-7, 9-4, 9-13.9, 9-14.4
Prolate spherical coordinates 4-12.1, 4-12.3
Properties of eigenvalues and eigenvectors 7-12.7
Protein 1-9.3, 1-9.10, 1-9.20, 1-9.25, 1-9.26, 6-18, 6-20, 6-21, 7-13.5, 10-5.4, 10-12.1, 10-13.2, 10-15.1, 10-16.1, 10-18.4, 11-4.6, 11-4.13, 11-5.3, 11-8.3, 12-6.1, 13-3.5
Protein data bank 6-18, 6-20
Proteins 1-5.5, 1-9.20, 1-9.25, 6-2.2, 6-15.6, 6-18, 6-20, 7-9, 9-8.6, 10-13.2, 10-16.1, 11-4.6, 12-6.8, 13-11
Pseudo-rotation angles 6-19.1
Punnett square 1-9.27
Pythagoras 1-2.1 to 1-2.3, 3-3.10, 3-8.2, 3-10.2, 4-13.3, 6-1.3, 6-2.9, 7-15.4, 12-4.1
Q-switching 10-2.4, 10-12.1
Quadratic potential 7-14.3, 8-2.4, 11-10.1
Quantile 13-1.2, 13-3.1, 13-3.3, 13-6.2, 13-6.6
Quantum harmonic oscillator 1-8.1, 10-10.5, 10-14.2, 11-5.6, 12-6.2
Quenching an excited state 10-2.4
Quotient rule 3-4.5
Radian 1-5.1, 1-5.2, 6-21.1, 7-7, 8-3, 9-1.2
Radius of gyration 7-15.4, 7-16.2
Radon Transform 9-14.2
Rainbow scattering 11-3.11
Ramachandran 6-18, 12-6.1
Random digits 1-9.18
Random walk 10-12.1, 12-3.2, 12-3.3, 12-6.2, 12-6.3
Rayleigh-Ritz method 4-9
Re (real part of complex number) 2-3.3, 2-4.2, 10-5.5, 11-3.9, 12-2.2
Reaction and diffusion 10-4, 10-5.4, 11-4.11
Reaction centre 12-4.1
Reaction on a surface 12-5
Reactive scattering 6-1.5, 11-3.11
Reciprocal derivatives 3-3.14, 3-11.6
Recurrence 5-9, 10-13.4
Recursion 1-3, 1-8.1, 5-9, 9-4, 9-4.1, 9-9.4, 9-10.4, 10-14.2, 11-1.3, 11-1.4
Reducible Representations 7-6.13
Reference plane 7-9, 7-9.1, 7-10
Reflection 1-1.7, 1-6, 2-1.1, 2-4.2, 5-1.3, 6-1.5, 7-5.3, 7-6.3 to 7-6.15, 7-9, 9-9.2, 9-13.1 to 9-13.8
Reflection in a mirror plane 7-6.3
Regula-Falsi 3-9
Repeated differentiation 3-3.7, 10-12.1, 10-12.6
Representations based on matrices 7-6.9
Reproductive ratio 11-7.1, 11-7.2, 11-7.5
Residuals 9-8, 9-8.4, 13-6.2 to 13-6.4, 13-7.4, 13-7.5, 13-8, 13-10.1
Resolution 4-8.2, 7-6.12, 9-5.2, 9-6.3, 9-7.1, 9-8.1, 9-8.8, 9-9.5, 9-9.8, 9-11.4, 9-13.1, 9-13.9, 9-14.4, 10-12.1, 12-1.1, 13-3.8
Resonance 4-12.4, 7-3, 7-5.5, 9-6.3, 10-12.1, 10-13.3, 11-5.3, 12-4.1
Resonance integral 4-12.4
Reverse transform 9-5.1, 9-5.5, 9-6, 9-7.4, 9-14.4, 10-18, 10-18.4
Reversible reactions 10-4.4
Rigid Rotor 5-5.3, 5-8, 5-9, 7-12.2, 8-1, 8-3, 10-11.5, 12-6.1
Rockets 10-8.2, 10-10.3, 10-10.4
Rolling average 9-10.1, 9-10.4
Rolling or moving average 9-7.1, 9-10.4
Roots of unity 2-3.2, 2-3.3, 2-4.1, 7-3.1, 7-13.2, 9-9.1, 9-9.2, 9-9.3
Rotation about an axis 7-6.3
Rotation axes 7-, 7-6.15, 7-16
Rotation matrix 6-2.10, 7-2.4, 7-4.11, 7-4.12, 7-6.9, 7-6.15, 7-7, 7-12.3, 9-14.2
Rotation-reflection 7-6.3, 7-6.15
Rotational diffusion 9-8.6, 10-18.5, 11-4.11, 13-6.1
Rotational energy level 5-5.1
Rotational motion of molecules 7-15.1, 9-4.1
Rotational spectrum 7-6.3, 7-6.4, 7-12.3, 7-15.1, 9-12
Rounding errors 11-1.1 to 11-1.4, 11-3.1, 13-6.2
Runge-Kutta 11-4.3 to 11-4.6, 11-4.11, 11-5.2, 11-5.6, 11-10
Sackur-Tetrode 3-11.2
Sample space 1-9.12, 1-9.13, 1-9.15
Sample Standard Deviation 1-9.10, 13-, 13-1.1, 13-1.2, 13-3.1 to 13-3.5
Savitsky-Golay 9-10.1
SAXS 4-5.1
Scalar product 6-2, 6-16
Schroedinger equation 4-9, 4-9.1, 4-9.2, 4-12.1, 5-8.1, 5-8.2, 5-9, 5-9.1, 6-13, 6-14, 7-3.2, 7-8, 7-12.3, 7-12.4, 7-12.9, 8-1.1, 8-2.1 to 8-2.4 9-6.7, 10-1.3, 10-3.3 10-11.4, 10-11.5, 10-12, 10-14.2, 10-15.1, 10-15.3, 10-16.4, 10-18.1, 10-18.2, 10-18.3, 11-5.5, 11-5.6, 11-10, 11-10.1, 11-10.2
Secant method 3-9.3, 11-2.1, 11-9.1
Second and higher order differential equations 11-5.5
Second-order equations 10-13.4, 11-5.5
Secular determinant 7-3, 7-6.16, 7-12.6, 7-12.9, 7-13.2, 7-13.4, 7-14.2, 7-14.3, 7-14.5, 7-16.1
Secular equation 7-3, 7-6.16, 7-12.6, 7-13.2, 8-2
Selection rules 1-9.7, 7-6.1, 7-6.12
Self-adjoint matrix 7-4.8
Self-energy integral 7-3
Semenov’s method 4-8.1
Separable variables 10-1.4
Separation of variables 10-15.1, 10-15.2, 10-15.3
Separatrix 10-3.3, 10-3.4, 11-6.3, 11-6.4
Sequence repeats in DNA 5-4.3
Sequential chemical reactions 10-13.1
Sequential reactions with equal rate constants 10-13.2
Series expansion 1-3, 1-4.4, 5-3, 5-6, 5-6.3 to 5-6.7, 5-7, 8-2.4, 9-1.2, 9-1.7, 9-2, 9-3, 9-4.1, 10-14.1 to 10-14.3, 11-, 11-1.1, 11-3
Series solution of differential equations 10-14.2, 10-14.3
Shannon Sampling 9-9.5
Shooting method 11-5.6, 11-9.1, 11-10.1
Shot noise 9-8.5
SI units 1-4.5, 3-3.8, 4-12.1, 7-14.6, 11-3.9, 11-10.2, 14.1.1
Signal to noise 9-, 9-5.2, 9-5.3, 9-6.5, 9-11.3, 9-11.4, 13-1.3, 13-9
Signals buried in noise 9-6.5, 13-9
Significant figures 1-2.1
Similarity 5-7, 7-6.1, 7-6.10, 7-10, 7-13.2 to 7-13.5, 9-4, 9-6.8, 9-8, 9-12, 9-13.1
Similarity and Classes 7-6.10
Similarity transforms 7-13.4
Simple harmonic motion 1-5.2, 7-14.2, 7-14.3, 10-3.2, 10-10.2, 10-10.5, 10-11.3, 10-12.1, 10-12.7, 11-6.4
Simple pendulum 10-11.1
Simpson’s rule 5-6.7, 11-3, 11-3.4, 11-4.5
Simulation 6-18, 9-13.1, 10-12.1, 11-4.6, 11-4.7, 12-, 12-3.1, 12-3.2, 12-3.3, 12-3.4, 12-4.1, 12-6.2, 12-6.4
Simulation of one-dimensional diffusion 12-3.3
Sumulation \(A\rightleftharpoons 2B\) 12-3.6
Simulation of polymer growth 12-3.5
Simultaneous equations 3-10.2, 7-12.1 to 7-12.6, 7-14.3, 7-14.4, 8-1.1, 10-10.1, 10-13.2, 13-6.2, 13-7.3
Single photons 1-3, 7-6.12, 12-3.4, 13-8
Singular matrix 7-4.10, 7-12.6
Sinc 3-6, 5-1.3, 9-5.6, 9-6.5 to 9-6.9, 9-8.8, 9-9.1, 9-12
Sinh 1-5.6, 1-6, 3-3.10, 4-2.7, 4-2.14, 4-13.4, 5-6.10, 10-10.3, 10-11.2, 10-12.8, 12-6.9, 12-6.10
Sinograms 9-14.3
SIR model of infection 11-7 to 11-7.3, 11-7.6, 12-5
Skew lines 6-15.3
Skydiving 10-8.1
Slater determinants 1-9.8
Small angle x-ray scattering 4-5.1
Small sample 13-3.2
Smoothing 9-2, 9-10, 9-10.1 to 9-10.4, 9-14.4, 11-3.5, 13-3.6
Spectral resolution 9-5.2, 9-8.8
Spherical polar coordinates 1-7, 4-10.2, 4-11, 6-6, 7-8
Spin basis set 8-4.2
Spin-orbit coupling 7-6.12, 10-2.4
Spin-spin coupling 8-3, 8-3.1, 11-5.1, 11-7, 12-5
Springs 6-1.3, 7-14.5, 10-10.6, 10-13.4, 11-5.3
Spur 7-4.4
Square Root 1-2.2, 1.3, 1-8.1
Square wave 9-1.7, 9-1.8, 9-4.1, 9-5.6, 9-6.6
Stable points 11-8.4
Standard Deviation in the Mean 13-1.3
Standard normal distribution 13-3.1, 13-9
Standing waves 1-5.4,
State functions 3-11.1, 4-13.6, 4-14, 4-14.1
Steady state 4-8.1, 7-13.2, 10-2.1 to 10-2.5, 10-3.1, 10-5, 10-5.4, 10-12.1, 10-15.5, 11-6.2, 11-6.4, 11-7.3, 11-8.1
Stimulated emission 7-10, 10-3.1, 10-12.1
Stirling’s formula for factorials 1-8, 1-9.23, 1-9.26, 3-3.13, 5-7
Stokes’ equation 10-18.1
Stokes’ law 10-12.1
Stokes-Einstein equation 10-2.4, 10-4.3, 10-12.1, 10-15.8, 13-6.1
Structure factor 2-3.3, 2-4.2, 9-13.1, 9-13.2, 9-13.7, 9-13.8, 9-13.9
Sugars 6-19, 10-15.8, 13-11
Summary of some Fourier Transform properties 9-6.8
Summation 1-3, 1-5.5, 1-11, 4-1.1, 4-8.1 to 4-8.5, 5-1 to 5-9
Summation of waves 5-1.2
Superposition 1-5.3, 1-5.5, 5-9.1, 9-5.4, 9-6.7, 9-13.7, 10-18.2
Superposition of waves 1-5.5
Surface of revolution 3-8, 3-8.1
Surface Plasmon resonance 10-15.8
Surface tension 6-1.4, 12-5
Susceptible 11-7, 11-7.1 to 11-7.4, 11-7.5, 11-7.6
Symmetry elements 7-, 7-6.1 to 7-6.4, 7-6.10
Symmetry operations 7-6.1 to 7-6.6, 7-6.7, 7-6.8, 7-6.9, 7-6.13, 7-6.15, 7-6.16
Symmetry Operations as matrices 7-6.8
Table of Differentials 3-3.17
Table of integrals 4-2.14
Table of Summations 5-2.1
Table of trig 1-5.1
Tangent 1-5.1, 1-5.6, 3-3, 3-3.10, 3-4.8, 3-9.1, 4-2.6, 4-2.7, 4-7.2
Tanh 1-6, 3-3.10, 4-2.7, 4-2.14, 4-10, 10-3.4, 10-4.5, 12-6.9
Tautochrone 3-8.2
Taylor series 5-3, 5-6.2, 5-6.5, 5-8.1, 7-6.12, 11-4.6, 11-5.6, 13-4, 13-10.1
Temperature Jump 10-4.3
Temperature profile 10-15.5, 10-15.9, 11-5.4
Temperature profile in two dimensions 10-15.5
Tension 1-5.2, 6-1.4, 10-10.6, 10-15.4, 10-17, 12-5
Test statistic 13-3.4, 13-3.5
The Structure Factor 2-4.2, 9-13.1, 9-13.2, 9-13.7 to 9-13.9, 10-5, 10-5.1, 10-18.4
Thermal diffusion 10-4.9, 10-5.5, 11-4.11
Thermodynamic relationships 3-11.9
Thick lens 7-9
Thin lens 3-10.2, 7-9.1
Threshold for an epidemic 11-7.4
Time profile of an epidemic 11-7.6
Time-dependent Schroedinger equation 10-15.1, 10-16.4, 11-4.13
Toeplitz matrix 9-7, 9-8
Torque 6-2.2, 6-21.1, 9-5.3
Torsion angles in sugars 6-19
Torsional oscillations 10-11.1
Total derivatives 3-11.7, 3-11.9
Trace 7-4.4, 7-5.7, 7-6.8, 7-6.9, 7-6.13, 7-6.15, 7-12.6, 9-8.4, 9-8.5
Transcendental number 1-2.1, 1-2.4
Transient Grating 7-6.12, 10-18.5, 11-4.11
Transpose 6-2.9, 6-10.1, 6-12, 6-18, 7-3.1 to 7-4.8, 7-4.12, 7-5.8, 7-12.6, 7-13.2, 7-14.2, 7-14.5, 8-4.1, 9-11.5, 13-7.2, 13-11
Trapezoidal rule 11-3, 11-3.3, 11-4.12
Trapezoidal rule integration 11-3.3
Travelling wave 1-5.2, 10-17
Trig formulas 4-3.2
Trig functions 1-5.1 to 1-5.6, 1-6, 2-4.2 3-3.10, 3-3.10, 4-2.7 4-3.1 4-8.3, 4-8.3, 5-6.5, 5-6.5
Trigonometric functions 1-5.1, 1-5.6, 4-3.1
Triple integrals 4-10, 4-10.2
Triple products 6-2, 6-16, 7-6.12
Triplet state 7-2.4, 10-2.3, 10-2.4, 12-2.4
Triplet-Triplet annihilation 10-2.4
Trommsdorff-Norrish effect 10-5.5
Truncation errors 11-1.2, 11-4.2
Two pendulums 7-14.1, 7-14.2
Tunnelling (Quantum) 11-4.13
Uncertainty Principle 4-8.5, 7-5.3, 9-5.6, 9-6.6, 9-6.7, 10-11.4, 10-11.5
Undefined integrals 4-2.10
Under-damped 10-12.1
Uniform distribution 4-8.1, 4-8.2, 12-1.1, 12-1.2, 12-3.4, 12-4.1, 13-2
Unit cell 1-5.5, 2-4.2, 6-8.1, 6-8.3, 6-9, 6-10.1, 6-11, 6-16, 9-5.4, 9-6.6, 9-12, 9-13.1, 9-13.2, 9-13.3, 9-13.4, 9-13.7, 9-13.8, 9-13.9
Unit cell volume 6-11
Unit vector 6-2.2 to 6-2.5, 6-3, 6-4, 6-6, 6-7, 6-15.1, 6-15.3, 7-6.9, 9-4
Unitary matrix 7-4.11, 7-4.12, 7-6.8, 7-7, 7-9
Unstable 7-10, 10-2.5, 10-11.2, 11-1.3, 11-4.13, 11-6.2, 11-8.4
Unstable equilibrium 10-2.5, 10-11.2
Unstable recursion 11-1.3
Van der Waals 3-11.1, 3-11.2, 4-1.2, 4-14
Van’t Hoff isotherm 3-4.6
Variance 4-8.1 to 4-8.6, 5-4, 9-6.7, 9-7.4, 9-8.5, 12-2.2, 13-1.2, 13-3.1, 13-3.5, 13-3.8, 13-4.1 to 13-5, 13-6.4, 13-6.6, 13-8, 13-11
Variational Method 4-9, 4-9.2
Vector addition 6-1.5, 6-2.8
Vector multiplication 6-2, 6-18
Vector product 6-2, 6-2.2, 6-15
Verlet algorithm 11-4.6, 11-4.8 to 11-4.10
Vertical mirror plane 7-6.3
Vibrational normal modes 1-5.2, 4-8.4, 5-5.3, 7-4.9, 7-6.14, 7-14.1, 7-14.3
Vibrational wavepacket 9-7.4
Vibrations of a linear triatomic 7-14.4
Virial coefficients 5-6
Virial Theorem 4-12.5, 4-12.6
Viscosity 10-2.4, 10-4.3, 10-4.9, 10-5.5, 10-12.1, 10-15.8, 13-6.1
Wave equation 1-5.5, 1-8.1, 1-9.8, 1-9.25, 4-8.4 to 4-9.2, 4-11, 4-12.1 to 4-12.3, 5-8.1, 5-8.2, 5-9, 5-9.1, 6-12, 7-2.4, 7-6.12, 7-8, 7-12.3, 7-12.4, 7-12.9, 8-1, 8-1.1, 8-2, 8-2.1 to 8-2.4, 8-3, 8-4.2, 8-5.1, 9-3, 9-4.1, 9-6.7, 10-11.4, 10-14.2, 10-15.1 to 10-15.4, 10-17, 10-18.2, 10-18.3, 11-1.3, 11-10, 12-6.6
Wavepacket 1-5.5, 5-9, 5-9.1, 9-6.7, 9-7.4, 10-15.1, 10-18.2, 11-4.13
Waves 1-5.2 to 1-5.5, 1-13.3, 2-3.3, 3-6, 4-5.1, 5-1.2, 5-1.3, 9-1.1, 9-1.2, 9-5.2 to 9-5.7, 9-6.3, 9-6.6, 9-6.7, 9-7.4, 9-8.7, 9-10.3, 9-12, 9-13.1 to 9-13.8, 9-14.1, 10-11.4, 10-15.4, 10-16.4, 10-17
Weight average 5-4.2
Weighting 4-8.1, 6-1.5, 9-1.2, 9-4, 12-6.1, 12-6.4, 13-3.8, 13-6.2, 13-6.4, 13-7.5, 13-8, 13-10.1
White noise 9-6.5, 9-8.5, 9-8.6
Widgets (in Python) 11-4.13
Wiener-Khinchin 9-8.3, 9-8.6
Work done 1-4, 3-11.1, 4-1.1, 4-1.2, 4-14, 6-6, 10-12.2, 10-12.4
X ray diffraction 1-5.5, 2-3.3, 2-4.2, 5-1.2, 9-, 9-5.4, 9-13, 9-13.1, 9-13.2, 9-13.6, 9-13.9
Yield 1-9.14, 10-2.3, 10-4.3, 11-5.3, 12-2.4, 13-3.5, 13-6.1
Zero filling 9-9.8
Zero-point energy 10-11.4
Zimm and Bragg 7-13.5
Zipper model 5-5.2