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Atkins P. — Molecular Quantum Mechanics
Atkins P. — Molecular Quantum Mechanics

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Название: Molecular Quantum Mechanics

Автор: Atkins P.

Язык: en

Рубрика: Физика/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Год издания: 1996

Количество страниц: 558

Добавлена в каталог: 07.04.2013

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
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Предметный указатель
$CH_{4}$ vibrations      350
$CO_{2}$ vibrations      344
$C_{2}$ structure      253
$C_{3v}$      136
$C_{3v}$, multiplication table      127
$C_{3v}$, representation      131 135 149
$D_{3h}$ as direct product      153
$p_{x}$, $p_{y}$, $p_{+1}$, $p_{-1}$      92
$\alpha, \beta$ spin states      109
$\delta$-function      439 453 517
$\delta_{mn}$ (Kronecker delta)      7 15 521
$\Lambda$-type doubling      360 365
$\pi$-lines (Zeeman)      234
$\pi$-orbital      251 258
$\pi$-orbital, benzene      261
$\pi$-orbital, butadiene      260
$\pi$-orbital, CNDO      311
$\pi$-orbital, complexes      266
$\pi$-orbital, conjugated      258 308
$\pi$-orbital, delocalization energy      260
$\pi$-orbital, Huckel approximation      258 308
$\pi$-orbital, MINDO      313
$\pi$-orbital, Pariser — Parr — Pople method      309
$\pi$-orbital, selection rules      204
$\pi^{*}\longleftarrow n$ transition      366
$\pi^{*}\longleftarrow \pi$ transition      366
A,B coefficients      195
ab initio calculation      276
Absorption, coefficient      510
Absorption, intensity      195
Acceptable functions      42
Accidental degeneracy      58
Accidental degeneracy, hydrogen atom      95
acronyms      315
action      37 484
Action, principle      484
Active vibrations, infrared      346
Active vibrations, Raman      347
Active, electron      297
Active, orbital      297
Adjoint matrix      520
Allowed transition      203
Alternant hydrocarbons      259
Ammonia, inversion doubling      354
Ammonia, molecular orbitals      257
Ammonia, SALC      257
Angular momentum in a plane      73
Angular momentum, about axis      249
Angular momentum, classical limit      76
Angular momentum, Clebsch — Gordan series      112
Angular momentum, commutators      100
Angular momentum, composite systems      110
Angular momentum, coupled      111 161
Angular momentum, coupled Hund cases      358
Angular momentum, eigenfunctions      107
Angular momentum, eigenvalues      103
Angular momentum, generators      158
Angular momentum, group theory      157
Angular momentum, half integral      109
Angular momentum, infinitesimal rotations      157
Angular momentum, magnitude      104
Angular momentum, matrix elements      105
Angular momentum, operators      74 98 108
Angular momentum, photon      204
Angular momentum, precession      232
Angular momentum, quantization      79
Angular momentum, Quantum number      79
Angular momentum, quenched      414
Angular momentum, shift operators      101
Angular momentum, total      110
Angular momentum, triangle condition      113
Angular momentum, uncertainty relations      75
Angular momentum, vector representation      76 79 101 113
Angular momentum, vibrational      354
Angular momentum, wavefunctions      497
Anharmonicity      337 351
Anharmonicity, constant      337
Anharmonicity, electrical      340
Anharmonicity, Fermi resonance      353
Anharmonicity, group theory      352
Annihilation operators      339 493
Anomalous Zeeman effect      234
Anti — Stokes lines      322
Antibonding orbital      248
Antisymmetric stretch      344
Antisymmetrized direct product      151
Antisymmetrized wavefunction      216
Antitunnelling      53
Arithmetical progressions      112
Associated Laguerre functions      87 87
Associated Legendre functions      78 498
Associative      126
Asymmetric rotor      323
Asymptotic behaviour      86 450
Atomic, hydrogen      (see Hydrogenic atom)
Atomic, orbital      90
Atomic, Spectra      5 202
Atomic, Structure      221
Aujbau principle      223
Austin model      313
Axis, improper rotation      123
Axis, principal      123
Axis, rotary reflection      123
Axis, symmetry      115
Azimuth      76
Azulene      259
Background phase shift      466
Balmer series      203
Band, gap      268
Band, theory      266
Barn      449
Basis functions      245
Basis functions, direct product      150
Basis functions, orthogonality      154 505
Basis functions, symmetry adapted      145
Basis set      245
Basis set, correlation energy      293
Basis set, double-zeta      287
Basis set, minimum      257 287
Basis set, superposition error      289
Basis set, truncation error      285
Benzene, configuration      262
Benzene, delocalization energy      262
Benzene, electronic spectrum      367
Benzene, molecular orbitals      261
Benzene, orbital energies      261
Benzene, vibronic transitions      367
Benzenoid band      367
Bernouilli numbers      237
Bessel functions      69 459
Birefringence      401
Bixon — Jortner theory      372 381
Black body      1
Bloch theory      269
Block-diagonal matrix      137
Bohr, magneton      207
Bohr, model of atom      5
Bohr, radius      88
Boltzmann distribution      321
Boltzmann distribution in electric field      395
Boltzmann distribution, rotational levels      332
Bond, $\pi$      251
Bond, $\sigma$      251
Bond, covalent      243
Bond, double      252
Bond, formation      243
Bond, kinetic energy      244
Bond, lengths, calculated      291
Bond, molecular orbital      244
Bond, order and energy      252
Bond, triple      251
Bonding orbital      248
Born — Oppenheimer approximation      240
Born, approximation      455
Born, expansion      455
Born, interpretation      18 42
Borrow intensity      369
Boson      219 332
Bound states      45
boundary conditions      44
Boundary conditions, cyclic      73
Boundary surface      90
Bra      22
Bracket notation      22
Brackett series      203
Branch      340
Branch, $\Lambda$-doubling      360 365
Branch, head      341
Branch, O, S      342
Branch, P, Q, R      340 365
Breit-Wigner, formula      468
Breit-Wigner, resonance      470
Brillouin zone      271
Brillouin’s theorem      294
building-up principle      223
Butadiene      260 377
Calculational accuracy      290
Canonical, momentum      486
Canonical, spinorbital      502
Capacitance      393
Carbon, diatomic      253
Carbon, dioxide      344
Carbon, monoxide      254
Carbonyl group, chromophore      366
Carbonyl group, optical activity      407
Carbonyl group, vibronic transitions      367 369
Central field approximation      222
Central potential      71
Centre of symmetry      123
Centrifugal distortion      327
Centrifugal distortion of motion      29
Centrifugal distortion, rate      479
Centrifugal distortion, variation of      188
Channel      472 475
CHARACTER      135
Character, full rotation group      160
Character, table      139 523
Charge density      514
Chemical shift      411 428
Chromophore      365 366
Chromophore, optical activity      407
Circular, birefringence      401
Circular, square well      72
Circularly polarized light      402
Cl      292
Cl (configuration interaction)      232 250
class      136
Class, number of symmetry species      141
Classical limit, rotation      76
Classical limit, vibration      64
Classical mechanics      484
Classical quantum basis      30
Classical virial theorem      55 63 487
Clebsch-Gordan, coefficients      115
Clebsch-Gordan, series      112 161 229
Close-coupling      477
Closed, channel      473
Closed, shell species      220
Closure approximation      174 386 422
Closure relation      32
CNDO method      311
Coefficients, Clebsch — Gordan      115
Coefficients, Einstein      195
Coefficients, Racah      119
Coefficients, spontaneous emission      196
Coefficients, stimulated absorption      195
Coefficients, stimulated emission      195
Coefficients, vector coupling      115
Coefficients, Wigner      115
Cofactor      521
Colatitude      76
Collisions, inelastic      474
Colloids      393
Column vector      521
Combination, band      351
Combination, principle      5
Commutation relation      12 25
Commutation relation, angular momentum      98 100
Commutation relation, conservation laws      29
Commutation relation, fundamental      16
Commutation relation, simultaneous eigenstates      24
Commutator      12
Complementarity      6 24
Complete active space      297
Complete set      10
Completeness relation      31
Complexes      264
Compound doublet      212
Compton, effect      4
Compton, wavelength      4
Conduction band      268
Configuration      211
Configuration, atomic terms      232
Configuration, hydrogen molecule      250
Configuration, interaction      292
Configuration, state function      292
Conjugate elements      136
Conjugated      7
Conrotatory path      375
Conservation, laws      29
Conservation, orbital symmetry      374
Constant, anharmonicity      337
Constructive interference      244
Contact interaction      439 517
Continuity equation      49
Continuum states      193
Contracted Gaussian      287
Contraction scheme      288
Convergence      172 279
Coordinates, ellipsoidal      242
Coordinates, mass-weighted      343
Coordinates, normal      344
Coordinates, spherical      76
Core hamiltonian      226 277
Coriolis force      353
Coriolis force, l-type doubling      354
Correlation, diagram, atomic terms      233
Correlation, dynamic      293
Correlation, energy      292
Correlation, nondynamic      293
Correlation, problem      227
Coulomb, degeneracy      95
Coulomb, gauge      417
Coulomb, integral (atoms)      213
Coulomb, integral (molecules)      246
Coulomb, operator      227 278
Coulomb, potential      13
Coulson — Rushbrooke theorem      259
Counterpoise correction      290
Coupled, channel      477
Coupled, picture      111 160
Coupled-perturbed equations      306
Coupling scheme      229 358 507
covalent bond      243
Creation, operators      339 493
Cross-section      448
Cross-section, differential      449
Cross-section, integral      449
CSF      292
Cubic groups      125
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