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| Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics |
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| Предметный указатель |
Trial function 183
Triangle condition 115
Tridiagonal 271 279
Triple-zeta basis set 299
Triplet 116
Truncation error 296
tunnelling 54
Turning point 65
Two-dimensional square well 58
Two-level system, time-dependent behaviour 189
UHF 291
Uhlenbeck, G 110
Ultraviolet catastrophe 2
Uncertainty principle 7 27
Uncertainty principle, energy-time 30
Uncertainty principle, periodic variables 75
Uncertainty, lifetime and energy 203
Uncoupled picture 113
Unfaithful representation 139
Ungerade 257
Unit matrix 32
Unitarity of S matrix 533
Unitary 550
Unrestricted open-shell Hartree — Fock 291
Upper bound 184
Valence band 280
Valence theory 249
van Leeuwen’s theorem 447
Vanishing integrals 157
Variables, separation of 24
Variation of constants 193
Variation theorem 183
Vector coupling coefficient 117
Vector function 439
Vector model 101 115
Vector potential 441 544
Vector potential, dipolar 546
Vector product 73 548
Vector representation 74 80
Velocity-dipole relation 540
Vertical plane 123
Vertical transition 387
| Very weak field 276
Vibration, group theory 369
Vibration, polyatomic molecule 365
Vibration-rotation spectra 362
Vibrational energy 360
Vibrational energy levels 357
Vibrational ground state 368
Vibrational selection rule 360
Vibronic transition 386
Vibronic transition, rotational structure 389
Vibronically allowed transition 3
Vierer group 125
Virial theorem 64 517
Virtual orbital 291 309
Virtual transition 174
Volume element 15
Water 266 396
Wave function 19 74
Wave function, conditions on 43
Wave function, first-order correction 174
Wave function, harmonic oscillator 62
Wave function, hydrogenic radial 88
Wave function, radial 85
Wave function, symmetry properties 75
Wave packet 50 65 76 519
Wave packet spreading 520
Wave vector 476
Wave-particle duality 6
Weak-field case 276
Wentzel, G. 484
Width of band 279
Wien displacement law 2
Wigner coefficient 117
Woodward — Hoffmann rules 401
Woodward, R.B. 401
work function 4
Yang, W. 320
ZDO 328
Zeeman effect 242
Zero differential overlap, approximation 328
Zero-point energy 57
Zitterbewegung 213
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