682
Index
Molecular systems (cont.)
polyatomic molecules, 257
residual entropy, 336–341
third-law entropy, 336–341
Monatomic solids, 242–250
Multi-electron atoms, 635–637
N
Nonlinear molecules, 642–644
N -particle systems, 141, 152–154, 204, 360,
383, 513
Nuclear spin effects
diatomic rotational spectra, 322–330
polyatomic molecular spectra, 330–336
O
Oscillator
approximation, 264–266
generic configurations, 131, 132
microstate energy level, 137
next-lowest-energy microstate, 135
quanta of energy, 131
rigid-rotor, 311–313
SHO (see Simple harmonic oscillator
(SHO))
transitions, 134
Otto cycles, 70–75, 78–81
P
Paramagnetism
density-of-states, 548
inorganic salts, 464
magnetic field, 549
nonzero temperatures, 551
number of electrons, 550
spin systems
ground level atoms or ions, 449–454
magnetic susceptibilities, 459–463
multi-electron atoms/ions, 445–449,
455–459
setting, 434–436
statistical mechanics, 436–445
in spin systems, 434–463
statistical mechanics, 411
temperature dependence, 552
See also Magnetism
Phase
gas-phase reaction, 95
Gibbs energy, 110
homogeneous, 87
liquid-solid, 463
partial equilibrium, 87
thermodynamic criterion, 250
Van der Waals fluid, 112
Polar gas
canonical ensemble description, 420–426
setting, 419–420
thermodynamic system, 420–426
Polarization, 414–416, 422, 423, 425, 576
Polyatomic molecules
corrections, 317
Euler–Maclaurin type, 315
irreducible representations, 642
linear molecules, 314, 317–318
nonlinear molecules, 314–315, 318–322
spectra
diatomic molecules, 330
rotational spectra
linear, 330–335
nonlinear, 335–336
translational motion, 257
vibrational anharmonicity corrections,
316–317
vibration–rotation interactions, 316
Q
Quantum mechanics
commutator operator, 684
energy values, 306
equation of state, 9
equivalent quantity, 583
ideal gas, 3
independent-electron model, 225
isolated system, 182
nuclear spin, 434
polarizability tensor, 412
translational motion, 150
Quantum statistics
density matrix, 583–586
ensemble averages, 583–586
Maxwell–Boltzmann statistics, 526–531
setting, 513–519
two types, 519–526
R
Real gases
fugacity, 103–107
Joule–Thomson inversion, 114–121
law of corresponding states, 107–114
Van der Waals model, 98–101
virial equation of state, 101–103
See also Thermodynamics
Refrigeration cycle, 64–66, 79–82
Index
Molecular systems (cont.)
polyatomic molecules, 257
residual entropy, 336–341
third-law entropy, 336–341
Monatomic solids, 242–250
Multi-electron atoms, 635–637
N
Nonlinear molecules, 642–644
N -particle systems, 141, 152–154, 204, 360,
383, 513
Nuclear spin effects
diatomic rotational spectra, 322–330
polyatomic molecular spectra, 330–336
O
Oscillator
approximation, 264–266
generic configurations, 131, 132
microstate energy level, 137
next-lowest-energy microstate, 135
quanta of energy, 131
rigid-rotor, 311–313
SHO (see Simple harmonic oscillator
(SHO))
transitions, 134
Otto cycles, 70–75, 78–81
P
Paramagnetism
density-of-states, 548
inorganic salts, 464
magnetic field, 549
nonzero temperatures, 551
number of electrons, 550
spin systems
ground level atoms or ions, 449–454
magnetic susceptibilities, 459–463
multi-electron atoms/ions, 445–449,
455–459
setting, 434–436
statistical mechanics, 436–445
in spin systems, 434–463
statistical mechanics, 411
temperature dependence, 552
See also Magnetism
Phase
gas-phase reaction, 95
Gibbs energy, 110
homogeneous, 87
liquid-solid, 463
partial equilibrium, 87
thermodynamic criterion, 250
Van der Waals fluid, 112
Polar gas
canonical ensemble description, 420–426
setting, 419–420
thermodynamic system, 420–426
Polarization, 414–416, 422, 423, 425, 576
Polyatomic molecules
corrections, 317
Euler–Maclaurin type, 315
irreducible representations, 642
linear molecules, 314, 317–318
nonlinear molecules, 314–315, 318–322
spectra
diatomic molecules, 330
rotational spectra
linear, 330–335
nonlinear, 335–336
translational motion, 257
vibrational anharmonicity corrections,
316–317
vibration–rotation interactions, 316
Q
Quantum mechanics
commutator operator, 684
energy values, 306
equation of state, 9
equivalent quantity, 583
ideal gas, 3
independent-electron model, 225
isolated system, 182
nuclear spin, 434
polarizability tensor, 412
translational motion, 150
Quantum statistics
density matrix, 583–586
ensemble averages, 583–586
Maxwell–Boltzmann statistics, 526–531
setting, 513–519
two types, 519–526
R
Real gases
fugacity, 103–107
Joule–Thomson inversion, 114–121
law of corresponding states, 107–114
Van der Waals model, 98–101
virial equation of state, 101–103
See also Thermodynamics
Refrigeration cycle, 64–66, 79–82