Index 693isoenthalpic-isobaric ensemble, 220
isothermal-isobaric ensemble, 220, 240
microcanonical ensemble, 76, 77, 96, 136
Convolution theorem, 670
Coordinates
action-angle, 94
Cartesian, 5
center-of-mass, relative, 16, 39, 156
collective variables, 334
cyclic, 14
generalized, 12, 19, 29, 31, 64, 337, 338,
348, 497, 572
minimal set, 33
normal mode, 480
normal modes, 27
phase space, 6, 24, 64
polar, 40, 94, 103
primitive, 484
reaction, 334–336
scaled, 165, 233, 237, 247, 249, 295
spherical polar, 14
staging, 478, 484
Copenhagen interpretation, 372
Correlation function
classical time, 502–588
classical time , 504
general spatial, 155
pair, 156
quantum time, 545, 548, 553, 558
spin-spin, 633
Correlation length, 634
Correlation time, 503
Coulomb gauge, 532
Critical exponents, 178, 611–612
α, 178, 623
β, 178
δ, 178, 623
η, 633–634
γ, 177, 622, 623
mean field theory, 179
mean-field theory, 618
ν, 633–634
Critical hypersurface, 645
Critical isotherm, 611
Critical point, 176, 610
Critical temperature, 176, 610
mean-field, 621
Cumulant expansion, 172
Cumulant generating function, 172
Cumulants, 172
Degeneracy, 443, 444
energy levels, 378, 392, 401–403, 406, 407
spin, 388, 416, 428, 439
Density functional theory, 409, 426, 427
Density of states, 304
vibrational, 570, 575
Detailed balance, 289, 546
Diffusion constant, 509–512
Diracδ-function, 78, 82, 88, 89, 139, 140,
155, 181, 190, 221, 230, 231, 247,
282, 330, 336, 337, 341, 356,
544–546, 581, 653–655
Dirac bra vector, 368
Dirac ket vector, 368
Direct translation method, 115, 117, 201, 250
Dissipative flux, 500, 507, 510
Dynamic caging, 582Eigenfunction, 376, 378, 409
Energy relaxation, 588–591
Ensemble
blue moon, 336–342
canonical, 135–137
classical canonical, 137–142
classical grand canonical, 268–273
classical isoenthalpic-isobaric, 220–222
classical isokinetic, 202–207
classical isothermal-isobaric, 222–226
classical microcanonical, 78–81
classical nonequilibrium, 495–503
classical uniform, 83
definition, 62–64
grand canonical, 267–268
isobaric, 218–220
magnetic system, 615
microcanonical, 75–78
quantum canonical, 401–402
quantum density matrix, 397
quantum grand-canonical, 402–403
quantum isothermal-isobaric, 402
quantum nonequilibrium, 551–554
Ensemble distribution
canonical, 140, 319, 352, 501
definition, 67
entropy, 74
equilibrium solution, 70, 189
generalized Liouville equation, 188
grand canonical, 271
isoenthalpic-isobaric, 221
isothermal-isobaric, 224, 528
Liouville equation, 69
microcanonical, 78
nonequilibrium ansatz, 499
Entropy
additivity, 87
Boltzmann’s relation, 77, 222
canonical ensemble, 142
Clausius, 61, 76
Gibbs, 73
Gibbs paradox, 92–93
grand canonical ensemble, 273
ideal gas, 92, 275
isothermal-isobaric ensemble, 226
microcanonical ensemble, 77
quantum harmonic oscillator, 404
second law of thermodynamics, 61
thermodynamic derivatives, 77, 136, 222
third law of thermodynamics, 62