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Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics
Atkins P.W., Friedman R.S. — Molecular Quantum Mechanics

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Название: Molecular Quantum Mechanics

Авторы: Atkins P.W., Friedman R.S.

Аннотация:

Molecular Quantum Mechanics established itself as a classic as soon as the original edition appeared. Maintaining the important and essential spirit of the earlier editions, this third edition remains in the forefront of its field. The book has been entirely rewritten to present the subject
more clearly than ever before, and the use of two-color art helps to make the text even more accessible. The text remains unique in the range of topics it covers, from the foundations of quantum mechancis to applications such as spectroscopy and the electric and magnetic properties of matter. Two
entirely new chapters have been added to this third edition. One is an introduction to computational techniques in quantum chemistry and the other is an introduction on scattering theory. Anyone teaching courses using quantum mechanics, particularly quantum chemistry, will not only find this volume
authoritative but highly approachable as well.


Язык: en

Рубрика: Физика/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Издание: 4-th

Год издания: 2005

Количество страниц: 573

Добавлена в каталог: 21.02.2007

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
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Предметный указатель
$X\alpha$ method      317
$\delta$-function      465
$\Lambda$-doubling      384 390
$\pi$-bonding      277
$\pi$-line      242
$\pi$-to-$\pi^{\ast}$ transition      391
$\sigma$-line      242
$\sigma$-orbital      252
ab initio calculation      287
Accidental degeneracy      60
action      38 513
Active electron      309
Active orbital      309
Adjoint      550
Allowed transition      209
Alternant hydrocarbon      270
AMBER      333
AMI      331
Ammonia      269
Angular momentum commutation relations      100
Angular momentum eigenfunctions      108
Angular momentum eigenvalues      104
Angular momentum matrix elements      106
Angular momentum operators      98
Angular momentum operators, position representation      108
Angular momentum quantum number      79
Angular momentum, coupled      164
Angular momentum, quenched      439
Angular momentum, total      112
Angular node      81
Angular wavefunction      526
Anharmonic vibration      359
Anharmonicity      373 374
Anharmonicity constant      359
Annihilation operator      522
Anomalous Zeeman effect      243
Anti-Stokes lines      344
Antibonding orbital      257
antisymmetric      226 355
Antisymmetric stretch      366
Antisymmetrized direct product      154
Antitunnelling      54
Aromatic character      274
Associated Laguerre functions      87
Associated Legendre function      77 527
Associative multiplication      129
Asymptotic form      87 475
Atomic hydrogen spectrum      207
Atomic orbital      91
ATP      335
Aufbau principle      231
Austin model 1      331
Axis of improper rotation      124
Axis of symmetry      123
Background phase shift      493
Balmer series      5 208
Band gap      280
band theory      278
Barn      474
Barrier of finite width      52
Basis      132
Basis function orthogonality      534
Basis, dimension of      132
Basis, symmetry-adapted      147
Basis-set correlation energy      304
Basis-set superposition error      301
Basis-set truncation error      296
benzene      271 392
Benzenoid band      392
Birefringence      427 545
Bixon — Jortner theory      397
Black-body radiation      1
Bloch function      281
Bloch theorem      281
Block-diagonal      139
Bohr      288
Bohr atom      6
Bohr magneton      213 464
Bohr radius      88
Bond order      285
Bonding orbital      257
Born approximation      504 506
Born expansion      505
Born interpretation      22 43
Born — Oppenheimer approximation      249
Born — Oppenheimer approximation, breakdown      382
Borrowed intensity      393
Boson      226 353
Bound state      46
Boundary condition, cyclic      73
Boundary surface      91
Bra      16
Bracket notation      16
Brackett series      208
Branch      363
Breit — Wigner formula      494 508
Breit — Wigner resonance      495
Brillouin zone      284
Brillouin, L.      484
Brillouin’s theorem      306
building-up principle      231
Calculational accuracy and basis set      301
Canonical momentum      515
Canonical spinorbital      531
Carbon monoxide      265
Central field      84
Central potential      71 479
Central-field approximation      230
Centre of symmetry      123
Centrifugal distortion      349 379
Centrifugal distortion constant      349
Channel      497
CHARACTER      137
Character table      141
Character, invariance of      137
Charge density      543
CHARMM      333
Chromophore      390 391
CI      259 304
Circular birefringence      427
class      138
Classical limit      65 76
Classical motion      51
Clebsch — Gordan coefficient      117
Clebsch — Gordan series      114
Close-coupling approximation      501
closed channel      497
Closure approximation      179
Closure relation      34
Cluster operator      313
CNDO      329
Coefficient of spontaneous, emission      202 538
Coefficient of stimulated emission      201
Coefficient of stimulated, absorption      201 538
Cofactor      550
Column vector      551
Combination band      374
Combination principle      5
Commutation relation      20
Commutation relation, angular momentum      100
Commutation relation, reversal of      385
Commutator      13
Commute      13
Complementarity      6 26
Complementary observable      27
Complete active-space self-consistent field method      309
Complete neglect of differential overlap      329
Complete nuclear permutation-inversion group      357
Complete set      10
Completeness relation      33
Complex conjugate      15 550
Complex orbital      92
Composite rotations      162
Composite systems      112
Composition of direct-product bases      152
Compound doublet      219
Compound singlet      116
Compton effect      5 8
Compton wavelength      5
Conduction band      280
Configuration      217
Configuration interaction      240 259
Configuration state function      303
Conical intersection      260
Conjugate elements      138
Conjugated $\pi$-electron system      269 326
Connected contribution      314
Conrotatory path      399
Conservation laws      30
Conservation of orbital symmetry      399
Conserved quantity      30
Constant of the motion      30
Constant, anharmonicity      359
Constant, centrifugal distortion      349
Constant, fine-structure      215
Constant, force      61
Constant, Planck’s      2
Constant, rotational      347
Constant, Rydberg      5 207
Constant, spin-orbit coupling      215
Constant, Stefan — Boltzmann      2
Contact interaction      465
Contracted Gaussian function      298
Contraction scheme      299
Convergence      177
Convergence problem      290
Core hamiltonian      234 288
Coriolis force      376
Correlation      228 302
Correlation diagram      277
Correlation energy      304
Correlation problem      236
Correspondence principle      57
Coulomb gauge      442
Coulomb integral      221 254
Coulomb operator      235 289
Coulomb potential      84
Coulomb potential, hidden symmetry      95
Coulson — Rushbrooke theorem      270
Counterpoise correction      301
Coupled angular momenta      164
Coupled cluster singles and doubles      314
Coupled perturbed MCSCF, equations      324
Coupled picture      113
Coupled-channel approximation      501
Coupled-cluster method      313
Creation operator      522
Curie law      438
Curl      440 548
Current density      447 448 543
Curvature      44
Curvature, formal definition      45
Cyclic boundary condition      73
Cyclic polyene      272
Cycloaddition reaction      399 401
Cytochrome P      335
d orbital      91
d orbital, transformation of      152
d-type Gaussian      297
Davidson correction      307
Davisson and Germer experiment      7
DCI      306
De Broglie relation      6 48
Debye temperature      3
Debye theory of heat capacity      3
Decoupled      382
Decoupling      384
Degeneracy      59
Degeneracy and symmetry      159
Degeneracy, accidental      60
Degeneracy, degree of      160
Degeneracy, hydrogenic atom      94
Degenerate      11 160
Degenerate state perturbation theory      180
Degree of degeneracy      160
Delta-function      465
Density functional theory      316
Density matrix element      296
Density of states      199
Density, charge      543
Density, current      448 543
Density, dipole-moment      419
Density, flux      49 478 533
Density, overlap charge      257
Density, probability      23
Density, total electron      296
Derealization energy      271
Detailed balance      511
Detection frequency      474
Determinant      73 549
Dewar, M.J.S.      329
Dextrorotatory      428
DFT      316
Diagonal matrix      549
Diagonal matrix element      33
Diagonalization of hamiltonian      34
Diamagnetic      436 437
Diamagnetic contribution to shielding      456
Diamagnetic current density      450
diamagnetic susceptibility      445
Diatomic molecule      261
Dicarbon      264
Dielectric media      418
Diels — Alder reaction      402 405
Differential cross-section      474
Differential equation      62
Differential overlap      328
Diffusion equation      40
Dihydrogen      307
Dimension of basis      132
Dinitrogen      262
Dioxygen      262
Dipolar interaction      463
Dipolar vector potential      546
Dipole-moment density      419
Dirac bracket notation      16
Dirac delta-function      503
Dirac, P.A.M.      40 193
Direct product tables      154
Direct product, antisymmetrized      154
Direct product, symmetrized      154
Direct-product group      155
Direct-product representation      153
Direct-product representation, reduction of      153
Disconnected contribution      314
Dispersion force      414
Disrotatory path      399
Dissociation energy      359
Distribution, Planck      2 202
Divergence      548
Divergence of vector      440
Double-excitation amplitudes      313
Double-zeta basis set      299
Double-zeta plus polarization basis      299
Doublet      217
Doublet, compound      219
Doubling, $\Lambda$      384 390
Doubling, inversion      378
Doubling, l-type      377
Doubly excited determinant      303
1 2 3 4 5
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