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| Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics |
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| Предметный указатель |
Lande g-factor 244
Langevin function 421 438
Langevin term 445
Laplacian 14
Laplacian in two dimensions 72
Laplacian operator 76
Laporte selection rule 209
Law, Curie 438
Law, Dulong and Petit’s 3
Law, Hooke’s 61
Law, Rayleigh — Jeans 2
Law, Snell’s 37
Law, Stefan — Boltzmann 1
Law, Wien displacement 2
LCAO 253
Lee, C 320
Legendre polynomial 479
Legendrian 76
Lifetime and energy uncertainty 203
Lifetime broadening 204 496
Ligand field splitting parameter 274
Ligand field theory 274
Light, propagation of 36
Limit of series 208
Limited CI 306
Line spectra 207
linear combination 11
Linear combination of atomic orbitals 253
Linear combination, symmetry-adapted 147
Linear operator 10
Linear rotor 348
Linear Stark effect 245
Linearly dependent. 12
Linearly independent 12
Little orthogonality theorem 143
Local density approximation 319
Local electric field 420
Local spin-density approximation 320
London force 414
London formula 417
Lorentz force law 515
Lorentz local field 420
Lorenz — Lorentz formula 426
Lot 143
Low-spin complex 276
Lower bound 187
Lowering operator 102
LUMO 263
Lyman series 208
M-shell 229
Magnetic dipole field 452
Magnetic dipole moment 436
Magnetic dipole transition 211
Magnetic field strength 543
Magnetic induction 543
Magnetic perturbation 442
Magnetic resonance parameter 452
magnetic susceptibility 437
Magnetically induced polarization 429
Magnetizability 436
magnetization 437 543
Magnetogyric ratio 213
Magneton 464
Many-body perturbation theory 310
Many-electron atom 229
Many-level systems 171
Maser action 378
Mass-weighted coordinate 366
Matrix 32
Matrix element 32 33 549
Matrix element, angular momentum 106
Matrix element, harmonic oscillator 41
Matrix mechanics 32
Matrix multiplication 32
Matrix representation 132
Matrix representative 132
Matrix, Fock 294
Matrix, Hessian 322
Matrix, overlap 294
Maxwell equations 543 544
Mean dynamic polarizability 424
Mean lifetime 496
Mean polarizability 410
Measurement 20
Mechanical anharmonicity 362 374
Metallic conductor 280
Microstate 238
MINDO 331
Minimal basis set 298
Minimum basis 268
Mirror plane 123
Miss van Leeuwen’s theorem 447
Modified intermediate neglect of differential overlap 331
Modulo-n ambiguity 482
Molar magnetic susceptibility 437
Molar refractivity 426
Molecular integral 527
Molecular mechanics 333
Molecular orbital 252 253
Molecular orbital energy level diagram 257
Molecular orbital energy level diagram, Period 2, homonuclear diatomic molecules 262
Molecular orbital energy level diagram, polyatomic molecule 266
Molecular potential energy curve 249
Moller — Plesset perturbation theory 310
Moment of inertia 71 344
Moment of inertia, table 346
Momentum representation 12
Morse potential 359
Motion of wavepacket 519
MPn 312
Multichannel process 497
Multichannel stationary scattering state 498
Multiconfiguration self-consistent field method 308
Multiple-quantum dipole transition 212
Multiplicity 218
Multireference configuration interaction 309
n-fold rotation 123
n-to- transition 391
NDDO 331
Neglect of diatomic differential overlap 331
Newtonian mechanics 514
Node 57
Node, angular 81
Non-adiabatic process 404
Non-classical reflection 54
Non-crossing rule 170
Non-dynamical correlation 305
Non-radiative decay 396
Non-reactive scattering 473
Normal coordinate 366
Normal mode 367 541
Normal mode, symmetry 370
Normal Zeeman effect 242
Normalization 15 62
Normalization integral 15
Nuclear hyperfine effect 383
Nuclear magneton 464
Nuclear permutation-inversion group 357
Nuclear screening constant 230
Nuclear spin properties 466
Nuclear spin-spin coupling 467
Nuclear statistics 353
Nucleus-nucleus coupling 462
Number of symmetry species 144
Oblate 348
Observable 9
Observable, complementary 27
Observable, simultaneous 25
Occupied orbital 291
Occupy 91
| Octahedral complex 274
One-dimensional solid 279
One-dimensional square well 55
One-electron orbital energy 235
open channel 497
Operator 9
Operator, angular momentum 98
Operator, construction of 14
Operator, Coulomb 235 289
Operator, exchange 235 289
Operator, Fock 289
Operator, Hamiltonian 14
Operator, hermitian 17
Operator, kinetic energy 14
Operator, linear 10
Operator, lowering 102
Operator, permutation-inversion 357
Operator, raising 102
Operator, shift 101
Optical activity 427
Optical birefringence 427
Optical rotation 427
Optical rotatory dispersion 432
Optical theorem 510
Orbital antibonding 257
Orbital approximation 229
Orbital bonding 257
Orbital exponent 297
Orbital magnetic moment 212
Orbital occupied 291
Orbital virtual 291
ord 432
Ortho-hydrogen 355
Orthogonal 15 62
Orthogonality of basis functions 534
Orthogonality theorem 142
Orthonormality condition 16
Oscillating perturbation 197
Oscillator strength 413 538 540
Outgoing Green’s function 503
Outgoing wave 52
Overlap charge density 257
Overlap integral 254
Overlap matrix 294
Overlap region 296
p-band 280
P-branch 363
p-orbital 91
p-orbital, transformation of 151
p-type Gaussian 297
P-wave scattering 480
pair 227
Para-hydrogen 355
parabola 61
Parabolic potential energy 358
Paramagnetic 436
Paramagnetic contribution to shielding 458
Paramagnetic current density 450 451
Paramagnetic susceptibility 445
Paramagnetism 437
Paramagnetism, spin-only 438
Paramagnetism, temperature-independent 445
Pariser — Parr — Pople method 327
Parity 257
Parr, R.G. 320
Partial-wave analysis 480
Partial-wave cross-section 489
Partial-wave equation 480
Partial-wave stationary scattering state 480
Particle in a box 55
Particle on a ring 71
Particle on a sphere 76
Paschen series 208
Paschen — Back effect 245
Pauli exclusion principle 227
Pauli matrices 111
Pauli principle 226 353
Pauli, W. 225
penetration 46 52 230
Penetration depth 52
Pericyclic reaction 399
Periodic potential energy 281
periodicity 231
Permanent magnetic dipole moment 436
Permeability 437
Permittivity 419
Permutation-inversion operator 357
Perturbation 168
Perturbation of two-level system 169
Perturbation theory 168
Perturbation theory for degenerate states 180
Perturbation theory, time-independent 168
Perturbation, oscillating 197
Perturbation, slowly switched constant 195
Perturbed Hartree — Fock equation 324
Pfund series 208
Phase length 37
Phase shift 481 493
phase velocity 519
Phosphorescence 398
Photochemically induced electrocyclic reaction 403
photoelectric effect 4
Photon 4
Photon, spin angular momentum 210
pi-bonding 277
pi-line 242
pi-to- transition 391
Planck distribution 2 202
Planck’s constant 2
Point group 124
Point group flow chart 127
Pointer reading 21
Polar molecule 420
Polarizability 344 407 409
Polarizability and molecular characteristics 412
Polarizability volume 410
Polarizability, dynamic 423
Polarizability, harmonic oscillator 410
Polarizability, spectroscopy 413
Polarization 419 543
Polarization, magnetically induced 429
Polyatomic molecule, molecular orbital theory of 266
Polyatomic molecule, vibration 365
Polynomial, Hermite 62 361
Polynomial, Legendre 479
Pople, J.A. 324 329
Position representation 12
Position representation, angular momentum 99
Position representation, orbital angular momentum operators 108
Postulates 19
Potential barrier, Eckart 55
Potential energy, effective 85
Potential energy, parabolic 358
Potential energy, periodic 281
Potential wall 51
PPP 327
Precess 240
Predissociation 390
Primitive Gaussian function 298
Principal axis 123 409
principal quantum number 89
Principle, Aufbau 231
Principle, building-up 231
Principle, combination 5
Principle, correspondence 57
Principle, Fermat’s 36
Principle, Franck — Condon 386
Principle, Hamilton’s 38 513
Principle, Heisenberg 7
Principle, least time 36
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