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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 |
Magnetic, susceptibility paramagnetic 420
Magnetic, susceptibility temperature dependence 413
Magnetic, susceptibility volume 411
Magnetizability 411 420
magnetization 411
Magnetogyric ratio 207 419
Magneton, Bohr 207
Magneton, nuclear 438
Many-body perturbation theory 298
Many-electron atoms 221
Mass-weighted coordinates 343 512
Matrix 519
Matrix, addition 519
Matrix, adjoint 520
Matrix, block-diagonal 137
Matrix, complex conjugate 520
Matrix, determinant 519
Matrix, diagonal 520
Matrix, direct sum 138
Matrix, eigenvalues 521
Matrix, element 31
Matrix, element, symmetry 155
Matrix, Hamiltonian 99
Matrix, hermitian 520
Matrix, introduced 30
Matrix, inverse 520
Matrix, mechanics 30
Matrix, multiplication 31 520
Matrix, Pauli 120
Matrix, product 520
Matrix, representation 128 132
Matrix, representative 128
Matrix, Schrodinger equation 32
Matrix, self-adjoint 520
Matrix, sum 519
Matrix, transpose 520
Matrix, unit 50
Matrix, unitary 520
Matter, wave nature 6
Maximum multiplicity 224 231
Maxwell equations 514
Measurement 16
Methane vibrations 350
Microscopic reversibility 482
Microstate 230
MINDO 313
Minimal basis set 257 287
Minimum, basis set 257
Minimum, principles 26
Mirror plane 123
Miss van Leeuwen’s theorem 422
MO (molecular orbital) 242
Modified Bessel functions 69 459
Modulo- ambiguity 460
Molar, magnetic susceptibility 411
Molar, refractivity 400
Molecular orbitals 242
Molecular orbitals, -bonded systems 258
Molecular orbitals, -orbitals 251 258
Molecular orbitals,  -orbitals 251 258
Molecular orbitals, ammonia 257
Molecular orbitals, antibonding 248
Molecular orbitals, benzene 261
Molecular orbitals, bonding 248
Molecular orbitals, butadiene 260
Molecular orbitals, diatomic molecules 251
Molecular orbitals, free electron 69
Molecular orbitals, group theory 255
Molecular orbitals, Hueckel approximation 258 308
Molecular orbitals, hydrogen molecule 242 248
Molecular orbitals, linear combination of atomic orbitals 245
Molecular orbitals, non-bonding 366
Molecular orbitals, notation 256
Molecular orbitals, polyatomic molecules 255
Molecular orbitals, theory 244
Molecular orbitals, transition metal complexes 262
Molecular orbitals, water 255
Molecular, integrals 498
Molecular, potential energy curve 240
Molecular, vibration 335
Moller — Plesset perturbation theory 298
Moment of inertia 71 322 324
Momentum, canonical 486
Momentum, operator 11
Momentum, presence of magnetic field 487
Momentum, representation 11
Morse potential 337
Multichannel scattering 472
Multiconfiguration method 297
Multiple quantum transition 206
Multiplicity 211
Multireference method 297
n-fold rotation 115
Negative kinetic energy 45
Newton’s laws 30 485
NMR 411
Node 56
Non-adiabatic process 379
Non-dynamic correlation 293
Non-reactive scattering 448
Nonalternant hydrocarbons 259
Nonbonding orbital 366
Nonclassical reflection 53
Noncrossing rule 165
Nonradiative decay 371
Normal coordinates 344
Normal coordinates, active 346 347
Normal coordinates, bent  molecules 347
Normal coordinates, example 512
Normal coordinates, expansion of hamiltonian 352
Normal coordinates, group theory 347
Normal coordinates, hamiltonian 345
Normal coordinates, irreducible representations 307
Normal coordinates, linear molecules 344 512
Normal coordinates, mixing 351
Normal coordinates, selection rules 346
Normal coordinates, symmetry 347
Normal coordinates, water 348
Normal, mode 343 345 512
Normal, Zeeman effect 234
Normalization 14
Nuclear, g-value 442T
Nuclear, hyperfine effects 359
Nuclear, magnetic resonance 411
Nuclear, magneton 438
Nuclear, screening constant 222
Nuclear, spin 332
Nuclear, spin-spin coupling 437
Nuclear, statistics 331
Nucleus-nucleus coupling 437 442
O-branch 342
Observables 9 16
Observables, complementary 6
Observables, simultaneous 24
Occupied orbital 279
Octahedral complex, -bonding 266
Octahedral complex, -orbitals 263
Octahedral complex, configuration 264
Octahedral complex, correlation 265
Octahedral complex, d-orbitals 263
Octahedral complex, Jahn — Teller theorem 265
Octahedral complex, ligand field theory 262
Octahedral group 125
One-dimensional well 54
One-electron orbital energy 227
open channel 473
Operator 9 16
Operator, annihilation and creation 339 493
Operator, dipole moment 203
Operator, eigenfunctions 10 17
| Operator, energy 13
Operator, exponential 39
Operator, generators 157
Operator, Hamiltonian 13
Operator, hermitian 21
Operator, kinetic energy 12
Operator, linear 14
Operator, momentum 11
Operator, observables 9 16
Operator, position 11
Operator, potential energy 13
Operator, projection 145
Operator, representations 11
Operator, rules for constructing 12
Operator, shift 101
Operator, simultaneous eigenstates 24
Operator, symmetry 122
Operator, time 29
Optical, activity 401
Optical, birefringence 402
Optical, rotatory dispersion 406
Optical, theorem 481
Optics, geometrical 35
Optics, wave 35
Orbital, active 297
Orbital, angular momentum 79
Orbital, antibonding 248
Orbital, approximation 221
Orbital, atomic 90
Orbital, bonding 248
Orbital, energy 252
Orbital, exponent 285
Orbital, Gaussian-type 285
Orbital, hydrogenic 90
Orbital, inactive 297
Orbital, linear combination 245
Orbital, magnetic moment 206
Orbital, molecular 242
Orbital, non-bonding 366
Orbital, s-, p-, d-, f 90
Orbital, Slater 225
Orbital, virtual 279 297
ord 406
Order (group) 127
Ortho-hydrogen 333
Orthogonality 14
Orthogonality, basis functions 154 505
Orthogonality, hermiticity 23
Orthogonality, Slater orbitals 238
Orthogonality, symmetry 154
Orthogonality, theorems 139 505
Orthonormality 15
Oscillating perturbation 192
Oscillator strength 388 509
Oscillator strength, polarizability 388
Oscillator strength, sum rule 388 510
Outgoing, Green’s function 454
Outgoing, wave 51
Overlap, bond formation 243
Overlap, calculated 246
Overlap, charge density 247
Overlap, inclusion in Hiickel method 274
Overlap, integral 14 200 245
Overlap, matrix 282
Overlap, symmetry 255
overtones 340 351
p-band 268
P-branch 340
P-electron 90
p-orbital 90
P-orbital, complex form 92
P-orbital, diamagnetic current 426
P-orbital, paramagnetic current 426
P-orbital, transformation 148
p-type Gaussian 285
P-wave scattering 458
Paired spins 220
Para-hydrogen 333
Parabolic potential 60 336
Paramagnetic 411
Paramagnetic, current density 425
Paramagnetic, shielding constant 433
Paramagnetic, susceptibility 420
Paramagnetic, temperature independent 421
Parametrization two level problem 34
Pariser — Parr — Pople method 309
Parity 248
Partial wave 457
Partial wave, analysis 458
Partial wave, cross-section 462
Partial wave, equation 458
Partial wave, multichannel 476
Particle in a box 54
Particle in a box, boundary conditions 55
Particle in a box, circular box 69
Particle in a box, degeneracy 69
Particle in a box, energy 56
Particle in a box, hamiltonian 54 57
Particle in a box, normalization 55
Particle in a box, separation of variables 57
Particle in a box, two-dimensional 56
Particle in a box, wavefunction 56
Particle in a box, zero-point energy 56
Particle on a ring 71
Particle on a ring, boundary conditions 73
Particle on a ring, classical limit 76
Particle on a ring, degeneracy 74
Particle on a ring, energy 73
Particle on a ring, hamiltonian 71
Particle on a ring, normalization 74
Particle on a ring, physical basis of quantization 74
Particle on a ring, Schrodinger equation 72
Particle on a ring, uncertainty principle 75
Particle on a ring, wavefunctions 74
Particle on a ring, wavepacket 76
Particle on a ring, zero-point energy 75
Particle on a sphere 76
Particle on a sphere, analogous problems 76
Particle on a sphere, energy 79
Particle on a sphere, hamiltonian 76
Particle on a sphere, Schrodinger equation 76
Particle on a sphere, separation 77
Particle on a sphere, wavefunctions 78 81
Particle on a sphere, zero-point energy 81
Particle, diffraction 6
Particle, duality 6
Particle-hole equivalence 229
Paschen series 203
Paschen — Back effect 236
Pauli, allowed terms 219
Pauli, atomic structure 222
Pauli, bosons 219
Pauli, building-up principle 223
Pauli, exclusion principle 219
Pauli, fermions 219
Pauli, helium atom 218
Pauli, matrices 120
Pauli, nuclear statistics 331
Pauli, principle 218
Penetration, barrier 45 50
Penetration, core 223
Penetration, depth 51
Penetration, pericyclic reaction 374
Penetration, periodicity 223
Permeability 412
Permittivity 393
Permutation, protons in H 2 333
Permutation, spin-I nuclei 335
Permutation, symmetry 332
Perturbation theory 164
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