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| Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics |
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| Предметный указатель |
Creation operators 339 493
Cross-section 448
Cross-section, differential 449
Cross-section, integral 449
CSF 292
Cubic groups 125
Cumulative reaction probability 479
Curie law 413
Curl 415 518
Current degenerate states 423
Current density 422 514
Current diamagnetic 425
Current paramagnetic 425
Current shielding constants 431
Curvature wavefunction 43
Cyclic boundary conditions 73
Cycloaddition 374 376
Cyclobutene 374
D-d transitions 369
d-orbital hydrogen-like 90 93
d-orbital in a crystal field 278
d-type Gaussian 285
Davidson correction 295
Davisson — Germer experiment 6
De Broglie relation 6 47
Debye heat capacity 3
Debye temperature 3
Decay of excitation, fluorescence 373
Decay of excitation, phosphorescence 373
Decay of excitation, radiationless transitions 371
Decay of excitation, thermal decay 371
Decaying state 472
Decoupling 358 360
Degeneracy 10 58
Degeneracy, accidental 58 95
Degeneracy, Couloumb 95
Degeneracy, degree of 157
Degeneracy, hydrogen atom 95
Degeneracy, perturbation theory 175
Degeneracy, symmetry 58 156
Degeneracy, vibrations 354
Delocalization energy 260
Density functional theory 301
Density matrix 284
Density of states, energy 194 508
Density of states, linear solid 267
Descent in symmetry 160
Destructive interference 245
Detailed balance 483
Determinant, excited 291
Determinant, Slater 220
Determinant, tridiagonal 259 267
Dextrorotation 402
Diagonal matrix 31 520
Diagonalization 32
Diagrammatic perturbation theory 190
Diamagnetic 411
Diamagnetic current density 425
Diamagnetic shielding constant 431
diamagnetic susceptibility 420
Diatomic molecules, bonding criteria 251
Diatomic molecules, energy level diagram 252
Diatomic molecules, molecular orbitals 251
Diatomic molecules, states 358
dielectric constant 393
Dielectric media 393
Diels-Alder reaction 374
Differential cross-section 449
Differential overlap 310 311
Diffraction of particles 6
Diffusion equation 38
Dihedral plane 123
Dimension (basis) 128 157
dipolar field 428
Dipolar potential 516
Dipole moment 382
Dipole moment, density 394
Dipole moment, fluctuation 389
Dipole moment, induced 383
Dipole moment, interaction energy 437
Dipole moment, magnetic 412
Dipole moment, operator 203
Dipole moment, permanent 383
Dipole-dipole interaction 389
Dirac bracket notation 22
Dirac delta function 439 453 517
Dirac equation 38
Dirac variation of constants 188
Direct product 150 526
Direct product, full rotation group 161
Direct product, group 152
Direct product, reduction 150
Direct product, representation 150
Direct product, symmetrized 151
Direct product, table 151
Direct sum 138
dispersion 401
Dispersion force 389
Dispersion force, electronic fluctuations 389
Dispersion force, London formula 392
Dispersion force, optical rotatory 406
Displacement, electric 514
Displacement, law 2
Disrotatory path 375
Dissociation energy 337
Distribution, Planck 2
Distribution, Rayleigh — Jeans 2
Divergence 415 518
Double-zeta basis set 287
Doublet, compound 212
Doublet, term 211
Doubling 354
Doubling,  -type 360
Doubling, inversion 354
Doubling, l-type 354
Duality 6
Dulong and Petit's law 2
Dynamic correlation 293
Dynamic polarizability 399
Eckart potential 54
Effective Hamiltonian 308
effective mass 336 513
Effective nuclear charge 221
Effective potential energy 85
Ehrenfest theorem 30
Eigenfunction 10 17
Eigenstate 23
Eigenvalue 10 17
Eigenvalue of matrix 521
Eigenvalue, equation 10 521
Eigenvector 521
Einstein A, Â coefficients 195
Einstein coefficient of spontaneous emission 195
Einstein coefficient of stimulated absorption 195
Einstein coefficient of stimulated emission 195
Einstein heat capacity 3
Einstein photoelectric effect 3
Einstein temperature 3
Einstein transition probabilities 195
Elastic scattering 448
Electric anharmonicity 340
electric dipole moment 382
Electric dipole transitions 507
Electric displacement 514
Electric field strength 514
Electric local 394
Electric polarization 383
Electric quadrupole transitions 205
Electric susceptibility 394
Electrocyclic reaction 374 377
| Electromagnetic field, Maxwell equations 514
Electromagnetic field, zero-point fluctuations 207
Electron spin resonance 411 434
Electron, active 297
Electron, correlation 291
Electron, diffraction 6
Electron, g-value 207 401
Electron, orbital magnetic moment 206
Electron, pair 220
Electron, slip 360
Electron, spin magnetic moment 207
Electron-electron, coupling (spin) 437
Electron-electron, repulsion 221
Electron-nucleus coupling 437
Electronic spectra,  -doubling 360 365
Electronic spectra, atomic 202
Electronic spectra, diatomic selection rules 361
Electronic spectra, diatomics 358
Electronic spectra, polyatomic selection rules 365
Electronic spectra, polyatomics 365
Electronic spectra, singlet-triplet transitions 381
Electronic spectra, vibronic transitions 362 364 367
Element symmetry 122
Ellipsoidal coordinates 242
Enantiomeric molecules 406
Energy complex 472
Energy density 508
Energy first-order 167
Energy flux 509
Energy harmonic oscillator 63 493
Energy hydrogenic atom 89
Energy in electric field 382
Energy in magnetic field 418
Energy level diagram 252
Energy linear rotor 326
Energy nth order 171
Energy one-electron orbital energy 227
Energy operator 13
Energy particle in box 56
Energy particle on ring 73
Energy particle on sphere 79
Energy quantization 2 44
Energy relativistic 4
Energy rotating, diatomic 326
Energy rotating, polyatomic 289
Energy second-order 170
Energy spherical rotor 326
Energy symmetric top 325
Energy third-order 409
Energy uncertainty relation 28
Energy vibrating diatomic 336 337
Energy vibrating polyatomic 345
Equilibrium geometry 305
ESR 411 434
Ethene  transition 366
Ethene dimerization 376 379
Euler — Lagrange equation 485
Euler's constant 499
Exchange integral (atoms) 215
Exchange integral (molecules) 311
Exchange operator 227 278
Exchange-correlation energy 302
Exchange-correlation potential 303
Excitance 1
Excitation, decay of see "Decay of excitation"
Exclusion principle 219
Exclusion rule 349
expectation value 17
Expectation value, time dependence 29
Exponential operator 39
Exponential switching 190 398
F-orbital 90
Factorization method 492
Fermat's principle 35
Fermi contact interaction 439
Fermi Golden Rule 195
Fermi heap 216
Fermi hole 216 231
Fermi resonance 353
Fermion 219 332
Feynman diagram 190
Fine structure 206
Fine structure, constant 209
Fine structure, ESR 437
Fine structure, hydrogen atom 206
Fine structure, NMR 411
First polarizability 383
First-order correction 167
Flatland 95
Fluctuation-dissipation relation 387
Fluorescence 373
Flux density 47 451
Fock matrix 282
Fock operator 278
Forbidden transitions 203
force constant 59 336
Force constant, generalized 343
Force constant, matrix 512
Franck — Condon factor 364
Franck — Condon principle 362
Free electron molecular orbital method 69
Free particle 46
Free particle, classical behaviour 49
Free particle, hamiltonian 46
Free particle, radial wavefunction 459
Free particle, solutions 46
Frequency offset 193
Frontier orbital 253
Full Cl 293
Full rotation group 125 157
Functional 301
Functions, scalar and vector 414
Functions, symmetry properties 148
Fundamental progression 362
Fundamental transition 346
G (gerade) 248
G-value 207 411
G-value, anomalous Zeeman effect 234
g-value, Laude 235
G-value, nuclear 442 T
Gauge 417
Gauge Coloumb 417
Gauge invariance 417
Gaussian function 61
Gaussian-type orbital 285
Generalized force constant 343
Generators, rotation 157
Geometric optics 35
Gerade 248
Germer 6
Golden Rule 195
Goudsmit 109
Gradient 518
Gradient method 304
Graph theory 262
Great orthogonality theorem (GOT) 139
Green's function 453 502
Gross selection rule 320
Group class 136
Group cubic 125
Group definition 126
Group direct product 152
Group full rotation 125 157
Group multiplication table 127
Group notation 124
Group of four 124
Group order 127
Group point 124
Group representation 128
Group theory 122
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