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| Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics |
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| Предметный указатель |
Group theory, angular momentum 157
Group theory, applications 161
Group theory, coupling of momenta 161
Group theory, molecular orbitals 255
Group theory, perturbation theory 172
Group theory, vanishing integrals 154
Group theory, vibrations 348
Group velocity 490
GTO 285
Gyration, radius of 71
Hamilton's principle 37
Hamiltonian 13 487
Hamiltonian atom in electric field 236
Hamiltonian commutation 156
Hamiltonian core 226 277
Hamiltonian diagonalization 32
Hamiltonian dipole-dipole 389
Hamiltonian effective 434
Hamiltonian electron in magnetic field 506
Hamiltonian free particle 46
Hamiltonian harmonic oscillator 61
Hamiltonian helium atom 212
Hamiltonian hydrogen molecule-ion 245
Hamiltonian hyperfine interaction 438 439
Hamiltonian magnetic interaction 418 487
Hamiltonian matrix 30
Hamiltonian molecule in electric field 382
Hamiltonian nuclear spin-spin coupling 443 444
Hamiltonian operator 13
Hamiltonian particle on surface of sphere 76
Hamiltonian planar rotation 71
Hamiltonian polyatomic vibrations 345
Hamiltonian rotating molecule 325
Hamiltonian spin 434
Hamiltonian spin-orbit coupling 208
Hamiltonian square well 54 57
Hamiltonian symmetric rotor 325
Hamiltonian vibrating molecule 336
Hard sphere 463
harmonic oscillator 59
Harmonic oscillator, classical limit 64
Harmonic oscillator, dispersion interaction 391
Harmonic oscillator, dynamic polarizability 400
Harmonic oscillator, energy 63 493
Harmonic oscillator, factorization method 492
Harmonic oscillator, Hamiltonian 61
Harmonic oscillator, matrix elements 40 494
Harmonic oscillator, molecular vibration 336 345
Harmonic oscillator, normal coordinates 344
Harmonic oscillator, oscillator strength 388 509
Harmonic oscillator, potential energy 60
Harmonic oscillator, properties 63
Harmonic oscillator, Schrodinger equation 61
Harmonic oscillator, series solution 494
Harmonic oscillator, summary of properties 63 T
Harmonic oscillator, virial theorem 55
Harmonic oscillator, wave functions 61
Harmonic oscillator, wavepacket 64
Harmonic oscillator, zero-point energy 64
Harmonics 340
Hartree 290
Hartree — Fock equations 226 278 499
Hartree — Fock limit 285
Hartree — Fock method 277
Hartree — Fock orbitals 225
head 341
Heat capacities 2
Heat capacities, Debye theory 3
Heat capacities, Dulong and Petit law 2
Heat capacities, Einstein theory 3
Heat capacities, solids 2
Heisenberg, matrix mechanics 30
Heisenberg, uncertainty principle 25
Helical electronic transitions 407
Helicity 204
Helium atom, energy 213
Helium atom, excited states 215
Helium atom, hamiltonian 212
Helium atom, spectrum 217
Helium atom, structure 212
Hellmann — Feynman theorem 182 383
Hermann — Mauguin system 124
Hermite polynomials 61 62 495
Hermitian conjugate 106
Hermitian matrix 520
Hermitian operators 21
Hermitian operators, momentum operator 22
Hermitian operators, orthogonal eigenfunctions 23
Hermitian operators, position operator 21
Hermitian operators, properties 23
Hermitian operators, real eigenvalues 23
Hermitian operators, squares 32
Hessian matrix 305
Heterocyclic molecules 274
Heteronuclear diatomics 254
HF (Hartree — Fock) 225
Hidden symmetry 58
Hidden symmetry, harmonic oscillator 61
Hidden symmetry, hydrogen atom 95
Hidden symmetry, square well 58
High-spin complex 264
Homo 252
Homonuclear diatomics 251
Horizontal plane 123
Hueckel approximation 258 308
Humphreys series 203
Hund coupling cases 358
Hund rules 224 231
Hydrogen, energy-level diagram 248
Hydrogen, energy-level diagram, hamiltonian 245
Hydrogen, energy-level diagram, molecular orbitals 244
Hydrogen, molecule 248
Hydrogen, molecule, bond length 249
Hydrogen, molecule, energy 249
Hydrogen, molecule, excited states 250
Hydrogen, molecule, integrals 249 498
Hydrogen, molecule, molecular orbitals 248
Hydrogen, molecule, nuclear statistics 333
Hydrogen, molecule, ortho- and para- 333
Hydrogen, molecule-ion 242
Hydrogenic atom 84
Hydrogenic atom, accidental degeneracy 95
Hydrogenic atom, angular solution 497
Hydrogenic atom, asymptotic behaviour 496
Hydrogenic atom, Balmer series 203
Hydrogenic atom, Bohr model 5
Hydrogenic atom, Brackett series 203
Hydrogenic atom, degeneracy 94
Hydrogenic atom, effective potential energy 85
Hydrogenic atom, energy 89
Hydrogenic atom, expectation values 94
Hydrogenic atom, factorization 428
Hydrogenic atom, fine structure 206
Hydrogenic atom, Flatland 95
Hydrogenic atom, ground state 91
Hydrogenic atom, hamiltonian 84
Hydrogenic atom, hidden symmetry 95
Hydrogenic atom, Humphreys series 203
Hydrogenic atom, hyperfine interaction 440
Hydrogenic atom, linear Stark effect 236
Hydrogenic atom, Lyman series 203
Hydrogenic atom, mean values 94
Hydrogenic atom, method of solution 496
Hydrogenic atom, orbitals 90
Hydrogenic atom, Paschen series 203
Hydrogenic atom, Pfund series 203
Hydrogenic atom, principal quantum number 89
Hydrogenic atom, radial distribution function 90
Hydrogenic atom, radial equation 77 496
Hydrogenic atom, radial wavefunction 77
| Hydrogenic atom, reduced mass 83
Hydrogenic atom, s-, p-, d-, f- orbitals 90
Hydrogenic atom, Schroedinger equation 84
Hydrogenic atom, separation of variables 85
Hydrogenic atom, solution 496
Hydrogenic atom, spectrum 202 211
Hydrogenic atom, spin-orbit coupling 208
Hydrogenic atom, structure 91
Hydrogenic atom, variational calculation 179
Hyperfine effects 359
Hyperfine interaction 437
Hyperfine interaction, dipolar 438
Hyperfine interaction, Fermi contact 439
Hyperfine interaction, nuclear spin-spin coupling 437
Hyperpolarizability 383 409
Hypervirial theorems 488
Icosahedral group 125
Identity operation 123
Improper rotation 123
Impulse perturbations 192
Inactive orbitals 297
Incoming wave 51
Indeterminance see "Uncertainty principle"
INDO 312
induced dipole 383
Induction 412
Inelastic collision 474
Inelastic scattering 448
Infinitesimal transformations, generator 158
Infinitesimal transformations, rotations 158
Infinitesimal transformations, translations 163
Infrared active 346
Insulator 268
Integral scattering, cross-section 449
Integral scattering, integral scattering, equation 453 454
Integral scattering, integrated absorption coefficient 510
Integrals, molecular 498
Integrals, vanishing 154
Intensity absorption 195
Intensity borrowing 369
Intensity maximum (rotation) 332
Intercombination transitions 367
Intermolecular forces 389
Intermolecular forces, colour of molecules 392
Intermolecular forces, electronic fluctuations 389
Intermolecular forces, London formula 392
Intermolecular forces, retardation effects 392
International System 124
Intersystem crossing 373
Interval rules 237
Inverse matrix 520
inversion 123
Inversion, doubling 354
Inversion, frequency 355
Ionization, energy 203 224
Ionization, first row elements 225
Ionization, Koopmans' theorem 228
Ionization, limit 203
Irreducible representation (irrep) 137
Jahn — Teller theorem 265
Jeans 2
jj-coupling 232
K-shell 222
Ket 22
Kinetic energy, bond 244
Kinetic energy, negative 45
Kinetic energy, operator 12
Kohn — Sham equations 302
Kohn — Sham orbitals 302
Koopmans' theorem 228
Kronecker delta 7 15 521
Kronig — Penney model 269
Kuhn — Thomas sum rule 388 510
L-shell 222
l-type doubling 354
Laevorotation 402
Lagrangian 484
Laguerre functions 87 87
Lamb formula 432
Lamb shift 212
Lande g-factor 235
Lande interval rule 237
Langevin function 396
Langevin term 421
Laplacian 13
Laplacian in Catesian coordinates 13
Laplacian in spherical coordinates 77
Laporte selection rule 204 369
LCAO 245
Least action, principle of 37
Least time, principle of 35
Legendre functions 78
Legendrian 77
Level (atomic spectra) 211
Level (atomic spectra), Hund rule 224 231
Level-shifter method 279
Lifetime broadening 198
Lifetime resonance 472
Ligand field, splitting parameter 262
Ligand field, theory 262
Light, electromagnetic radiation 514
Light, particles 4
Light, polarization 402 516
Light, propagation 34
Light, quantization 4
Light, reflection and refraction 35
LIMIT 203
Limited CI 294
Line spectra 202
linear combination 10
Linear combination, atomic orbitals 245
Linear dependence 11
Linear independence 11
Linear molecule, Coriolis forces 353 354
Linear molecule, l-type doubling 354
Linear molecule, normal coordinates 344
Linear molecule, rotation 326
Linear molecule, vibrational angular momentum 354
Linear momentum, operator 11
Linear momentum, uncertainty 25 28
Linear momentum, wavefunction 47
Linear operator 14
Linear rotor 326
Linear Stark effect 236
Little orthogonality theorem (LOT) 141
Local density approximation 303
Local field 394 430
London force 398
London formula 392
Lorentz force law 486
Lorentz local field 395
Lorenz — Lorentz formula 400
Low-spin complex 264
Lower bound 182
Lowering operator 101
LS-coupling 229
LUMO 252
Lyman series 203
M-shell 222
Magnetic dipole, density 412
Magnetic dipole, moment 411
Magnetic dipole, transitions 205
Magnetic field, effect on molecules 411
Magnetic field, hamiltonian 418
Magnetic field, momentum operator 383 454
Magnetic field, strength 514
Magnetic field, vector potential 416
Magnetic flux density 514
Magnetic induction 412
Magnetic moment, nuclear 442 T
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