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| Авторизация |
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| Поиск по указателям |
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| Atkins P. — Molecular Quantum Mechanics |
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| Предметный указатель |
Semiconductor 268
Semiempirical method 276 307
Separation of variables 19
Separation of variables, hydrogen atom 85
Separation of variables, normal mode 305
Separation of variables, particle on sphere 77
Series, limit 203
Shape function 49 490
Shell 222
Shielding in atoms 431
Shielding, (charge) 223
Shielding, currents 428
Shielding, diamagnetic 431
Shielding, Lamb formula 432
Shielding, NMR, constant 427
Shielding, paramagnetic 433
shift operators 101
Shift operators in rotating frame 361
Shift operators, commutators 101
Shift operators, matrix elements 106
Shift operators, orbital 251 258
Shift operators, position representation 108
Similarity transformation 133 522
Simultaneous equations 521
Single-valuedness 42
Singlet 114
Singlet-triplet transitions 370
Singlets and triplets 114 333
Singly excited determinant 291
Size-consistency 296 6
Slater — London rules 317
Slater, atomic orbitals 225
Slater, determinant 220
Slip (electron) 360
Snell’s law of refraction 35
Solids, band theory 266
Solvent effects, decay of excitation 371
Space, group 124
Space, quantization 79
span 139
specific 320
Specific selection rule 320
Specific, diatomics 338
Specific, polyatomics 346
Specific, vibration 338
Spectra, atomic 5 202
Spectra, electron spin resonance 411 434
Spectra, electronic 202 358 365
Spectra, magnetic resonance 411
Spectra, nuclear magnetic resonance 411
Spectra, Raman 322
Spectra, rotational 329
Spectra, vibration-rotation 340
Spectra, vibrational 340
Spectral 203
Spectral, density function 199
Spectral, line 5
Spectroscopic terms 5 210
Spherical square well 464
Spherical, harmonics 78 78
Spherical, Neumann function 460
Spherical, polar coordinates 76
Spherical, rotor 326
Spherical, volume element 14
Spin 109
Spin, classical limit 109
Spin, constant 444
Spin, correlation 221
Spin, coupling 437 442
Spin, Dirac equation 38
Spin, electron 109
Spin, Hamiltonian 434
Spin, magnetic moment 207
Spin, matrices (Pauli) 110
Spin, matrix elements 110
Spin, mechanism 443
Spin, nuclear 332 342T
Spin, pairing 220
Spin, perturbation theory 444
Spin, photon 204
Spin, quantum number 105
Spin-adapted configuration 316
Spin-only paramagnetism 413
Spin-orbit coupling 208
Spin-orbit coupling, atomic hydrogen 208
Spin-orbit coupling, coupling constant 208
Spin-orbit coupling, electron spin resonance 434
Spin-orbit coupling, electron-electron coupling 437
Spin-orbit coupling, g-value 207 434
Spin-orbit coupling, Hund rules 224 231
Spin-spin coupling 437
Spinorbital 220 277
Spinorbital, canonical 502
Split-valence basis set 287
Spontaneous emission 196
Spreading of wave packet 491
Square integrable 18
Square well (x,y) 57
Square well (x,y), time-dependence (x,t) 19
Square well, circular 72
Stark effect 233 236
Stark effect, linear 236
Stark effect, quadratic 236
State 20
States 333
Stationary 20
Stationary, scattering state 449 451
Stefan — Boltzmann law 1
Stimulated absorption and emission 195
STO 225
Stokes lines 322
Stretch 344
Strong field case 264
Structural correlation 293
Subshell 222
Sum rules 388 409 510
symbols 119
Symmetric, rotor 323
Symmetrized direct product 151
Symmetry and degeneracy 156
Symmetry element 122
Symmetry hidden 58
Symmetry normal mode 347
Symmetry operation 122
Symmetry properties of integrals 154
Symmetry reduction 160
Symmetry species 138 141
Symmetry vibration 348
Symmetry-adapted, ammonia 257
Symmetry-adapted, basis 145
Symmetry-adapted, linear combination 255
Symmetry-adapted, water 255
Tanabe — Sugano diagram 265
Taylor expansion 36 335 383 490
Temperature independent paramagnetism 421
Thermal, decay 371
Thermal, reaction 377
Third-order energy 171 409
Thomas precession 208
Thompson, G.P. 6
Thomson formula 409
Tight-binding approximation 267
Time, dependent perturbation theory 184
Time, energy uncertainty 198
Time, independent perturbation theory 164
Time, operator 29
TIP 421
torque 323
Total angular momentum 110
Trace 135
| Trace, cyclic invariance 135
Transition, atoms 203
Transition, diatomic vibrations 338
Transition, dipole moment 196 203 320
Transition, helical 407
Transition, intercombination 367
Transition, magnetic dipole 205
Transition, multiple quantum 206
Transition, normal coordinates 307
Transition, polyatomic vibrations 338
Transition, probability 187 194
Transition, rate 194
Transition, rotational 328
Transition, selection rule 320
Transition, singlet-triplet 370
Transition, state 374
Transition, symmetry and electronic transitions 326
Transition, vertical 362
Transition, vibrational 338 346
Transition, vibronic 362 364 367
Transition, virtual 169
Translational motion 46
Transmission probability 52
TRANSPOSE 520
Trial function 178
Triangle condition 113
Tridiagonal determinant 259 267
Triple bond 251
Triple-zeta basis set 287
Triplet 114
Truncation error 285
tunnelling 53
Turning point 64
Two-dimensional square well 56
Two-level system 164 184
UHF 280
Uhlenbeck 109
Ultraviolet catastrophe 2
Uncertainty principle 25
Uncertainty principle, consequences 27
Uncertainty principle, derived 25
Uncertainty principle, energy and time 28
Uncertainty principle, general form 25
Uncertainty principle, particle on ring 75
Uncertainty principle, periodic variables 75
Uncertainty principle, position and momentum 25
Uncertainty principle, zero-point energy 56
Uncoupled picture 111 507
Unfaithful representation 137
Ungerade 248
Unit matrix 31 520
Unit matrix, matrix 504
Unitary matrix 520
Unrestricted Hartree — Fock 280
Upper bound 178
Vacuum, fluctuations 198 207
Vacuum, permeability 412
Vacuum, permittivity 393
Valence, band 268
Valence, electron 222
Valence, theory 240
Vanishing integrals 154
Variation of constants 188
Variation, applied to hydrogen atom 179
Variation, lower bounds 182
Variation, Rayleigh 178
Variation, Rayleigh — Ritz 180
Variation, theorem 178
Variation, theory 178
Vector, coupling coefficients 115 506 527T
Vector, Differentiation 518
Vector, dipolar field 516
Vector, function 414
Vector, gauge transformation 417
Vector, gradient 518
Vector, Hund cases 359
Vector, model 113
Vector, multiplication 518
Vector, potential 416
Vector, product 518
Vector, properties 518
Vector, representation 79
Velocity, group 490
Velocity, phase 490
Velocity-dipole relation 511
Vertical, plane 123
Vertical, transition 362
Very weak field case 264
Vibration, active 346 347
Vibration, anharmonic 337
Vibration, degenerate 354
Vibration, diatomic molecules 335
Vibration, inversion doubling 354
Vibration, molecular 335
Vibration, normal coordinates 344
Vibration, number of modes 342
Vibration, overtones 340 351
Vibration, polyatomic molecules 342
Vibration, progression 363
Vibration, Raman spectra 341
Vibration, selection rules 338 357
Vibration, wavefunctions 61
Vibration, zero-point energy 64
Vibration-rotation spectra 340
Vibrational angular momentum 354
Vibronic, benzene 367
Vibronic, complexes 369
Vibronic, diatomics 362
Vibronic, group theory 368
Vibronic, states 363
Vibronic, transitions 362 364 367
Vierer group 124
Virial theorem 55 63 487
Virial theorem, harmonic oscillator 55
Virial theorem, hydrogenic atom 94
Virtual, orbital 279 297
Virtual, transition 169
Volatility of hydrocarbons 392
Volume element 14
Volume magnetic susceptibility 411
Vveak-field case 264
Water, molecular orbitals 255
Water, normal coordinates 348
Water, SALC 255
Wave-particle duality 6
wavefunction 16
Wavefunction, acceptable functions 42
Wavefunction, antisymmetric 216 219
Wavefunction, asymptotic behaviour 86 450
Wavefunction, barriers 50
Wavefunction, Bom interpretation 18
Wavefunction, curvature 43
Wavefunction, first-order correction 169
Wavefunction, free particle 46
Wavefunction, harmonic oscillator 61
Wavefunction, hydrogen atom 496
Wavefunction, interpretation 18
Wavefunction, linear motion 46
Wavefunction, normalized 14
Wavefunction, orthogonal 14
Wavefunction, orthonormal 15
Wavefunction, particle in box 56
Wavefunction, particle on disc 72
Wavefunction, particle on ring 74
Wavefunction, particle on sphere 78
Wavefunction, Pauli principle 219
Wavefunction, phase 20
Wavefunction, polyatomic vibrator 345
Wavefunction, product radial 85
Wavefunction, separation 85
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