√лавна€    Ex Libris     ниги    ∆урналы    —татьи    —ерии     аталог    Wanted    «агрузка    ’удЋит    —правка    ѕоиск по индексам    ѕоиск    ‘орум   
blank
јвторизаци€

       
blank
ѕоиск по указател€м

blank
blank
blank
 расота
blank
Michael Baer, Gert D.Billing Ч Advances in Chemical Physics, The Role of Degenerate States in Chemistry, Vol. 124
Michael Baer, Gert D.Billing Ч Advances in Chemical Physics, The Role of Degenerate States in Chemistry, Vol. 124

„итать книгу
бесплатно

—качать книгу с нашего сайта нельз€

ќбсудите книгу на научном форуме



Ќашли опечатку?
¬ыделите ее мышкой и нажмите Ctrl+Enter


Ќазвание: Advances in Chemical Physics, The Role of Degenerate States in Chemistry, Vol. 124

јвторы: Michael Baer, Gert D.Billing

јннотаци€:

Edited by Nobel Prize-winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest.

This stand-alone, special topics volume, edited by Gert D. Billing of the University of Copenhagen and Michael Baer of the Soreq Nuclear Research Center in Yavne, Israel, reports recent advances on the role of degenerate states in chemistry.

Volume 124 collects innovative papers on "Complex States of Simple Molecular Systems," "Electron Nuclear Dynamics," "Conical Intersections and the Spin-Orbit Interaction," and many more related topics. Advances in Chemical Physics remains the premier venue for presentations of new findings in its field.


язык: en

–убрика: ‘изика/

—татус предметного указател€: √отов указатель с номерами страниц

ed2k: ed2k stats

√од издани€: 2002

 оличество страниц: 824

ƒобавлена в каталог: 05.08.2009

ќперации: ѕоложить на полку | —копировать ссылку дл€ форума | —копировать ID
blank
ѕредметный указатель
$C_2H$ radical, non-adiabatic coupling, (1, 2) and (2, 3) conical intersections, two-state molecular system      109Ч112
$C_2H$ radical, Renner Ч Teller effect, multiple-state systems      623
$HD_2$ molecule, non-adiabatic coupling, two-state molecular system      107Ч109
$HD_2$ molecule, permutational symmetry, isotopomers      713Ч717
$HD_2$ molecule, permutational symmetry, potential energy surfaces      692Ч694
$H_3$ molecule, permutational symmetry, ${}^1H_3$ isotopomers      713Ч717
$H_3$ molecule, permutational symmetry, potential energy surfaces      692Ч694
$Na_2F_2$ cluster, direct molecular dynamics, semiempirical studies      415
$\Delta$ electronic states, Renner Ч Teller effect, tetraatomic molecules, perturbative handling      647Ч653
$\Delta$ electronic states, Renner Ч Teller effect, tetraatomic molecules, theoretical background      625Ч626
$\Delta$ electronic states, triatomic molecules      600
$\Delta$ electronic states, triatomic molecules, minimal models      618
$\Delta$ electronic states, triatomic molecules, vibronic/spin-orbit coupling      604Ч605
$\pi$ bonds, phase-change rule      452Ч453
$\pi$ bonds, phase-change rule, isomerization reactions      456
$\pi$ bonds, phase-change rule, large four-electron systems      458Ч459
$\Pi$ electronic states, permutational symmetry, electronic wave function      680Ч682
$\Pi$ electronic states, Renner Ч Teller effect, tetraatomic molecules, ABBA models      631Ч633
$\Pi$ electronic states, Renner Ч Teller effect, tetraatomic molecules, Hamiltonian equations      626Ч628
$\Pi$ electronic states, Renner Ч Teller effect, tetraatomic molecules, HCCS radical      633Ч640
$\Pi$ electronic states, Renner Ч Teller effect, tetraatomic molecules, perturbative handling      641Ч646
$\Pi$ electronic states, Renner Ч Teller effect, tetraatomic molecules, theoretical background      625Ч626
$\Pi$ electronic states, Renner Ч Teller effect, triatomic molecules, minimal models      615Ч618
$\Pi$ electronic states, Renner Ч Teller effect, triatomic molecules, vibronic coupling, singlet states      599Ч600
$\Pi$ electronic states, Renner Ч Teller effect, triatomic molecules, vibronic/spin-orbit coupling      452Ч453
$\sigma$ bonds, phase-change rule      452
$\sigma$ bonds, phase-change rule, isomerization reactions      456
$\sigma$ bonds, phase-change rule, large four-electron systems      458Ч459
$\Sigma$ electronic states, permutational symmetry, electronic wave function      680Ч682
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules      587
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, minimal models      618
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, multiple-state models      623
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, nonlinear molecules      606Ч610
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, pragmatic models      620Ч621
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, vibronic coupling      598Ч600
$\Sigma$ electronic states, Renner Ч Teller effect, triatomic molecules, vibronic/spin-orbit coupling      600Ч605
$\tau$-matrices, non-adiabatic coupling, analycity properties      124Ч126
$\tau$-matrices, non-adiabatic coupling, curl condition, pseudomagnetic field      95Ч96
$\tau$-matrices, non-adiabatic coupling, extended Born Ч Oppenheimer equations      169Ч171
$\tau$-matrices, non-adiabatic coupling, extended Born Ч Oppenheimer equations, three-state molecular system      174Ч175
$\tau$-matrices, non-adiabatic coupling, minimal diabatic potential matrix, noninteracting conical intersections      86Ч89
$\tau$-matrices, non-adiabatic coupling, quantization extensions      62Ч63
$\tau$-matrices, non-adiabatic coupling, single/multivaluedness      126Ч132
$\tau$-matrices, non-adiabatic coupling, three-state molecular system      102Ч103
$\tau$-matrices, non-adiabatic coupling, three-state molecular system, numerical studies      134Ч137
$\tau$-matrices, non-adiabatic coupling, three-state molecular system, strongly coupled (2, 3) and (3, 4) conical intersections, УrealФ three-state systems      115Ч117
$\tau$-matrices, non-adiabatic coupling, two-state molecular system, $H_3$ molecule      105Ч109
$\tau$-matrices, non-adiabatic coupling, two-state molecular system, single conical intersection solution      98Ч101
$\tau$-matrices, non-adiabatic coupling, vector potential, Yang Ч Mills field      93Ч97
${}^1H_2$ molecule, permutational symmetry, rotational wave function      686Ч687
${}^1H_3$ molecule, permutational symmetry, isotopomers      713Ч717
${}^2S$ systems, permutational symmetry, ${}^1H_3$ isotopomers      713Ч717
${}^2S$ systems, permutational symmetry, alkali metal trimers      712Ч713
${}^2S$ systems, permutational symmetry, dynamic Jahn Ч Teller and geometric phase effects      698Ч711
${}^2S$ systems, permutational symmetry, electron/nuclear spin effects      711Ч712
${}^2S$ systems, permutational symmetry, nonadiabatic coupling effects      711
${}^2S$ systems, permutational symmetry, potential energy surfaces      692Ч694
${}^2S$ systems, permutational symmetry, static Jahn Ч Teller effect      694Ч698
1, 4ЧCyclohexadiene (CHDN) molecule, conical intersection location      490Ч491
1, 4ЧCyclohexadiene (CHDN) molecule, phase-change rule, helicopter reactions      459Ч460
1, 4ЧCyclohexadiene (CHDN) molecule, phase-change rule, large four-electron systems      458Ч459
1, 4ЧCyclohexadiene (CHDN) molecule, phase-change rule, photochemistry, quantitative analysis      482Ч 487
1, 4ЧCyclohexadiene (CHDN) molecule, phase-change rule, quantitative photochemical analysis      483Ч487
Ab initio calculations, non-adiabatic coupling      41Ч44
Ab initio calculations, non-adiabatic coupling, three-state molecular system      102Ч103
Ab initio calculations, non-adiabatic coupling, two-state molecular system, $H_3$ molecule      104Ч109
Ab initio calculations, non-adiabatic coupling, two-state molecular system, single conical intersection solution      97Ч101
Ab initio calculations, Renner Ч Teller effect, tetraatomic molecules, $\Pi$ electronic states      634Ч640
Ab initio calculations, Renner Ч Teller effect, tetraatomic molecules, theoretical background      625Ч626
Ab initio calculations, Renner Ч Teller effect, triatomic molecules      611Ч615
Ab initio calculations, Renner Ч Teller effect, triatomic molecules, pragmatic models      620Ч621
Ab initio multiple spawning (AIMS), conical intersection location      491Ч492
Ab initio multiple spawning (AIMS), direct molecular dynamics      411Ч414
Ab initio multiple spawning (AIMS), direct molecular dynamics, theoretical background      360Ч361
ABA symmetry, Renner Ч Teller effect, triatomic molecules      618Ч621
ABBA molecules, Renner Ч Teller effect, tetraatomic molecules, $\Delta$ electronic states, perturbative handling      647Ч653
ABBA molecules, Renner Ч Teller effect, tetraatomic molecules, $\Pi$ electronic states      631Ч633
ABBA molecules, Renner Ч Teller effect, tetraatomic molecules, Hamiltonian equations      627Ч628
ABBA molecules, Renner Ч Teller effect, tetraatomic molecules, perturbative handling      641Ч646
ABBA molecules, Renner Ч Teller effect, tetraatomic molecules, vibronic coupling      630Ч631
ABC bond angle, Renner Ч Teller effect, triatomic molecules      611Ч615
ABCD bond angle, Renner Ч Teller effect, tetraatomic molecules      626Ч628
ABCD bond angle, Renner Ч Teller effect, tetraatomic molecules, $\Pi$ electronic states      634Ч640
ABCD bond angle, Renner Ч Teller effect, tetraatomic molecules, perturbative handling      641Ч646
ABCD bond angle, Renner Ч Teller effect, tetraatomic molecules, vibronic coupling      630Ч631
Abelian theory, molecular systems, Yang Ч Mills fields, nuclear Lagrangean      250
Abelian theory, molecular systems, Yang Ч Mills fields, pure vs. tensorial gauge fields      250Ч253
Abramson, E.W.      450(53) 494(53) 501
Abrol, R.      41(4 46) 138 140 285(55) 300Ч301(55) 303(84) 304(55) 308(84) 321Ч322 715Ч716(81) 740
Adamo, C.      363(95) 426
Adelman, D.E.      145(50Ч51) 195 286(57Ч59) 321
Adhikari, S.      41(25) 122(25 133Ч134) 139 142 146(53Ч56 60) 147(65Ч66) 168(65) 150(60) 152(60) 157(53Ч54) 162(54Ч55) 163(55) 164(54) 168(88) 184(60) 195Ч196 211(189Ч191 193Ч194) 234(193) 248(189Ч191 193Ч194) 278 399(217) 430 487Ч488(102) 503 506(3) 555
Adiabatic approximation, geometric phase theory, conical intersection eigenstates      8Ч11
Adiabatic approximation, geometric phase theory, eigenvector evolution      11Ч17
Adiabatic approximation, non-adiabatic coupling, theoretical background      41Ч44
Adiabatic approximation, permutational symmetry, total molecular wave function      662Ч668
Adiabatic molecular dynamics      362Ч381
Adiabatic molecular dynamics, Gaussian wavepacket propagation      377Ч381
Adiabatic molecular dynamics, initial condition selection      373Ч377
Adiabatic molecular dynamics, nuclear Schroedinger equation      363Ч373
Adiabatic molecular dynamics, vibronic coupling      382Ч384
Adiabatic potentials, non-adiabatic coupling, minimal diabatic potential matrix      83Ч89
Adiabatic representation, electronic states, Born Ч Huang expansion      286Ч289
Adiabatic representation, electronic states, first-derivative coupling matrix      290Ч291
Adiabatic representation, electronic states, nuclear motion Schroedinger equation      289Ч290
Adiabatic representation, electronic states, second-derivative coupling matrix      291Ч292
Adiabatic representation, permutational symmetry, conical intersections, invariant operators      735Ч737
Adiabatic representation, permutational symmetry, conical intersections, Jahn Ч Teller theorem      733Ч735
Adiabatic systems, direct molecular dynamics      362Ч381
Adiabatic systems, direct molecular dynamics, Gaussian wavepacket propagation      377Ч381
Adiabatic systems, direct molecular dynamics, initial condition selection      373Ч377
Adiabatic systems, direct molecular dynamics, nuclear Schroedinger equation      363Ч373
Adiabatic-to-diabatic transformation (ADT)      see also "Non-adiabatic coupling"
Adiabatic-to-diabatic transformation (ADT), canonical intersection, historical background      147Ч148
Adiabatic-to-diabatic transformation (ADT), derivation      47Ч48
Adiabatic-to-diabatic transformation (ADT), electronic states, diabatic nuclear motion Schroedinger equation      293Ч295
Adiabatic-to-diabatic transformation (ADT), electronic states, diabatization matrix      295Ч300
Adiabatic-to-diabatic transformation (ADT), electronic states, electronically diabatic representation      292Ч293
Adiabatic-to-diabatic transformation (ADT), electronic states, two-state application      300Ч309
Adiabatic-to-diabatic transformation (ADT), historical background      40Ч44
Adiabatic-to-diabatic transformation (ADT), molecular systems, multidegenerate nonlinear coupling      241Ч242
Adiabatic-to-diabatic transformation (ADT), molecular systems, Yang Ч Mills fields, curl conditions      252Ч253
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, analyticity      123Ч126
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, extended Born Ч Oppenheimer equations      171Ч173
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, Jahn Ч Teller systems, Longuet-Higgins phase      119Ч122
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, line integral approach      50Ч57
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, line integral approach, quasidiabatic framework      53Ч57
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, line integral approach, single-valued diabatic potentials and topological matrix      50Ч53
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, minimal diabatic potential matrix      83Ч89
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, orthogonality      122Ч123
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, quantization      63Ч67
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, single/multivaluedness      126Ч132
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, solution conditions      48Ч50
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, two-state molecular system, $C_2H$-molecule: (1, 2) and (2, 3) conical intersections      111Ч112
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, two-state molecular system, $H_3$ molecule      104Ч109
Adiabatic-to-diabatic transformation (ADT), non-adiabatic coupling, Wigner rotation matrix and      89Ч92
Adiabatic-to-diabatic transformation (ADT), Yang Ч Mills field      203Ч205
Aguilar, A.      82(107) 141 640Ч641(169) 658
Aharonov Ч Anandan phase, properties      209
Aharonov Ч Bohm effect      see "Geometric phase effect"
Aharonov, Y.      3(12) 4(18) 16(18) 27(12 18) 28(18) 37 42(62Ч63) 95(113) 122(63) 140Ч141 200(8 10) 204(81 95) 208(145Ч146) 209(8 10) 210(10 177) 211(95) 213(232) 215(241) 218(241) 232(264) 273 275 277Ч280 285(27) 320 487(104) 503
Ahn, J.      200(19) 204(19) 273
Al-Laham, M.A.      363(95) 426
Alder, R.W.      458(59) 501
Alexander, M.H.      285(41) 321
Alijah, A.      63(85) 67(92) 134Ч135(85) 122(133Ч134) 141Ч142 147(63 65Ч66) 148(65) 196 211(194) 242(298) 248(194) 278 281 297(73) 322 506(3) 555 619(81Ч85) 655
Alkali metal trimers, permutational symmetry      712Ч713
Allen, M.      371(121) 427
Allinger, N.      359(58) 406(58) 425
Allison, T.      398(211) 403(211 224) 430
Allyl radical, loop construction, phase-change rules      455
Almloef, J.      41(6) 138
Alternate spin functions (ASF), phase inverting reactions      498Ч499
Ammonia molecule, conical intersections, two-state chemical reactions      436Ч438
Ammonia molecule, loop construction, photolysis      480Ч481
Ammonia molecule, phase-change rule, chiral systems      456Ч458
Amos, R.D.      41(6) 138
Amplitude analysis, electron nuclear dynamics (END), molecular systems      339Ч342
Amplitude analysis, molecular systems      214Ч233
Amplitude analysis, molecular systems, Cauchy-integral method      219Ч220
Amplitude analysis, molecular systems, cyclic wave functions      224Ч228
Amplitude analysis, molecular systems, modulus and phase      214Ч215
Amplitude analysis, molecular systems, modulus-phase relations      217Ч218
Amplitude analysis, molecular systems, near-adiabatic limit      220Ч224
Amplitude analysis, molecular systems, reciprocal relations      215Ч217 232Ч233
Amplitude analysis, molecular systems, wave packets      228Ч232
Analytic theory, molecular systems, component amplitudes      214Ч233
Analytic theory, molecular systems, component amplitudes, Cauchy-integral method      219Ч220
Analytic theory, molecular systems, component amplitudes, cyclic wave functions      224Ч228
Analytic theory, molecular systems, component amplitudes, modulus and phase      214Ч215
Analytic theory, molecular systems, component amplitudes, modulus-phase relations      217Ч218
Analytic theory, molecular systems, component amplitudes, near-adiabatic limit      220Ч224
Analytic theory, molecular systems, component amplitudes, reciprocal relations      215Ч217 232Ч233
Analytic theory, molecular systems, component amplitudes, wave packets      228Ч232
Analytic theory, non-adiabatic coupling      123Ч126
Analytic theory, quantum theory      199Ч205
Anandan, J.      42(62) 140 200(10) 209(9 165) 210(10) 273 277
Anchor, conical intersection, molecules and independent quantum species      439Ч441
Anchor, conical intersection, properties      439
Anchor, conical intersection, two-state chemical reactions      437Ч438
Anchor, loop construction, butadiene molecules      474Ч482
Anchor, loop construction, photochemical reactions      453Ч460
Anchor, loop construction, quantitative photochemical analysis      483Ч487
Anchor, phase-change rule, cyclopentadienyl radical (CPDR)      466Ч467
Ancilotti, F.      215(239) 218(239) 279
Anderoni, W.J.      134Ч135(135) 137(135) 142
Anderson, L.S.      625(146) 639(146) 657
Andersson, K.      358(39Ч40) 363(97) 424Ч425 427
Andres, J.L.      363(95) 426
Angular momentum, Gaussian matrix elements, crude Born Ч Oppenheimer approximation      517Ч542
Angular momentum, Gaussian matrix elements, crude Born Ч Oppenheimer approximation, Coulomb interaction      527Ч542
Angular momentum, Gaussian matrix elements, crude Born Ч Oppenheimer approximation, Coulomb interaction, first-order derivatives      529Ч535
Angular momentum, Gaussian matrix elements, crude Born Ч Oppenheimer approximation, Coulomb interaction, second-order derivatives      535Ч542
Angular momentum, Gaussian matrix elements, normalization factor      517
Angular momentum, Gaussian matrix elements, nuclei interaction terms      519Ч527
Angular momentum, Gaussian matrix elements, overlap integrals      518Ч519
Angular momentum, permutational symmetry, group theoretical properties      670Ч674
Angular momentum, Renner Ч Teller effect, triatomic molecules      591Ч598
Antara path products, loop construction, butene compounds      478Ч479
Antiaromatic transition state (AATS), phase-change rule, permutational mechanism      451Ч453
Antiaromatic transition state (AATS), quantitative photochemical analysis      483Ч487
Antilinear operators, permutational symmetry      721Ч723
Antisymmetric matrix, non-adiabatic coupling, vector potential, Yang Ч Mills field      94Ч95
Antoniou, I.      213(221) 279
Aoiz, F.J.      162(79Ч80 84Ч87) 196
Aoyagi, M.      82(103) 118(103) 141
Applegate, B.E.      464(73) 465(73 76) 502
Arfken, G.      14(27) 37
Arnold, J.      365(111) 427
Arnold, V.I.      17(28) 37
Aromatic transition state (ATS), phase-change rule, permutational mechanism      451Ч453
Aromaticity, phase-change rule, chemical reaction      446Ч453
Aromaticity, phase-change rule, chemical reaction, pericyclic reactions      447Ч450
Aromaticity, phase-change rule, chemical reaction, pi-bond reactions      452Ч453
Aromaticity, phase-change rule, chemical reaction, sigma bond reactions      452
Asakura, T.      208(148) 277
Ashfold, M.N.R.      625(146) 639(146) 657
Asymptotic analysis, electronic states, triatomic quantum reaction dynamics      317Ч318
Atchity, G.J.      285(48) 301(48) 321 388(189) 410(189) 429 438(33) 487(33 107) 488(107) 500 503 576(35) 581
Atkins, P.      396(198) 429
Au, C.K.      213(232) 279
Averbukh, I.SH.      200(15Ч16 18) 204(16 90) 211(16 90) 212(15 199Ч200) 273 278
Averin, D.V.      200(22) 273
Avery, J.      97(115) 103(115) 119(115) 141 202(57) 274
Avron, J.E.      211(188) 248(188) 278
Ayala, P.Y.      363(95) 426
Azulene molecule, direct molecular dynamics, complete active space self-consistent field (CASSCF) technique      408Ч410
Azumi, T.      506(13) 555
Bacis, R.      624(111) 656
Badurek, G.      207Ч208(124) 210(170) 276 278
Baede, A.      381(160) 428
Baer Ч Englmann (BEB) approximation, permutational symmetry, GBO approximation/geometric phase, Hilbert space model      720Ч721
Baer, M.      10(22) 13(25Ч26) 28(25Ч26 36Ч37 39) 37 41(7Ч13 23Ч24 26Ч28 34Ч36 54Ч56) 42(8Ч12 34Ч36 55Ч57 72Ч75) 43(8Ч12 34Ч36 72Ч75) 46(8Ч10) 47(9) 49(36) 50(57) 51(57 80) 53(35 36b) 54(81) 59(80) 63(34 36 84Ч85) 66Ч67(9) 68(26) 70(81) 71(12 26 74) 72(7Ч8 80) 73(9Ч12) 80(24) 82(34Ч36 54 94Ч97 104) 86(23) 88(80) 93(8 34) 94(73Ч74 110) 95(36 54 110 112) 97(72 114Ч115) 99(12) 101(114) 102(12 104) 103(115) 104(11Ч12 35Ч36 72Ч74 116Ч117) 105(13) 106(120) 107(11) 109(11Ч12 73) 111(72Ч73 104) 112(116) 114(116) 115(7 81) 116(73) 117(12 26 74) 118(8 13 54 72Ч74 94Ч97 104 126) 119(115) 122(23 26 55Ч56 133Ч134) 134(36 85) 135(85) 139Ч142 144(18Ч23) 145(42) 146(57Ч59) 147(19Ч20 62Ч66) 148(65) 150(59) 157(59) 158(68) 194Ч196 200(29Ч30 32 36Ч38) 202(55Ч57 59Ч60) 203(36 72Ч73) 204(83) 205(72) 206(30 32 108Ч109) 210(30 32) 211(193Ч194) 222(29) 229(29) 234(193 281Ч282) 241(72) 242(29Ч30 32 56 108 282 290Ч293 298Ч30Ч1) 248(36 59 193Ч194 300Ч301) 252Ч253(72) 258Ч259(72) 262(72) 274Ч276 278 281 285(28 47 49Ч50 52) 289(62) 296(72Ч73) 297(47 74Ч75) 301(47 49Ч50 52 74) 320Ч322 345(48) 353 359(53Ч54 56Ч57) 365(114Ч115) 383(54) 385(53Ч54) 419(54) 425 427 488(112) 489(113) 503 506(2Ч3) 555 660(5 25) 668(5 53) 693(5) 713(5 53) 716(5 85Ч86) 719(5 53) 720(5 25 53) 721(5 25) 738Ч740
Baer, R.      28(39) 37 41(23) 86(23) 122(23) 139 146(58) 150(58) 157(58) 195 242(300Ч301) 248(300Ч301) 281
Baggott, J.      479Ч480(90) 502
Bai, Z.-M.      210(175) 278
Balakrishnan, N.      357(18) 364(18) 424
Baldridge, K.      363(96) 426
Balint-Kurti, G.G.      357(16) 364(16) 424
Balisteri, M.L.M.      206(122) 276
Ballhausen, C.      418(250) 431 506(8) 555
Balzani, V.      481Ч482(95) 502
Banares, L.      167(80 84Ч87) 196
Band theory, geometric phase theory, Floquet theory principles      35Ч36
Band theory, geometric phase theory, single-surface nuclear dynamics, vibronic multiplet ordering      24Ч25
Banks, T.      212(218) 279
Barckholtz, T.      381(166Ч167) 428 464(73) 465(73) 502
Barnes, M.P.      624(111) 656
Barnett, R.      360(69) 425
Barnett, S.M.      208(138 141) 277
Baron, M.      210(170) 278
Barone, V.      363(95) 426
Barrow, Dixon, and Duxbury (BDD) method, Renner Ч Teller effect, tetraatomic molecules, Hamiltonian equations      626Ч628
Barrow, Dixon, and Duxbury (BDD) method, Renner Ч Teller effect, triatomic molecules      618Ч621
Barrow, R.      618(74) 655
Bartholomae, R.      622(89) 655
Baseia, B.      206(110) 276
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements      517Ч542
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements, Coulomb potential derivatives      527Ч542
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements, Coulomb potential derivatives, first-order derivatives      529Ч535
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements, Coulomb potential derivatives, second-order derivatives      535Ч542
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements, normalization factor      517
Basis functions, crude Born Ч Oppenheimer approximation, angular-momentum-adopted Gaussian matrix elements, overlap integrals      518Ч519
Basis functions, crude Born Ч Oppenheimer approximation, theoretical background      507
Basis functions, direct molecular dynamics, nuclear motion Schroedinger equation      363Ч373
Basis functions, Renner Ч Teller effect, tetraatomic molecules      629Ч631
Basis functions, Renner Ч Teller effect, tetraatomic molecules, $\Pi$ electronic states      629Ч631640
Basis functions, Renner Ч Teller effect, tetraatomic molecules, perturbative handling      643Ч646
Basis functions, Renner Ч Teller effect, triatomic molecules      592Ч598
Basis functions, Renner Ч Teller effect, triatomic molecules, linear models      616Ч618
Bastida, A.      661(35) 739
Bates, C.A.      233(276) 280
Bates, D.R.      203(64) 254(64) 275 284(13Ч14) 320
Bearpark, M.      358(43) 359(50 64) 360(79Ч85) 406(64) 407(79) 408(80Ч82) 409(83Ч84) 410(85) 425Ч426 489(115) 503 558(6) 580
Beaton, S.A.      604(30Ч31) 654
Beck, C.      285(38) 321
Beck, M.H.      357(20) 364(20) 423(20) 424
Beer, M.      408(238) 430
Beer-Lambert law, direct molecular dynamics, adiabatic systems, initial conditions      373Ч377
Behroozi, C.      249(315) 282
Bell inequalities, phase factors      208
Ben-Nun, M.      326(16) 352 358(35Ч36) 361(88) 399(35Ч36 218Ч219) 400(220) 401(36 218) 402(35Ч36 221Ч222) 403(222) 411(36 218 243Ч244) 414(88 221 247Ч248) 424 430Ч431 434(10) 472(10) 491(10 123) 500 503
Ben-Reuven, E.      4(18) 16(18) 27Ч28(18) 37 42(63) 122(63) 140 204(81) 275
Benchmark handling, Renner Ч Teller effect, triatomic molecules      621Ч623
Bender, C.F.      609(36) 654
Bending vibrations, Renner Ч Teller effect, nonlinear molecules      606Ч610
Bending vibrations, Renner Ч Teller effect, tetraatomic molecules, $\Pi$ electronic states      636Ч640
Bending vibrations, Renner Ч Teller effect, tetraatomic molecules, theoretical background      625Ч626
Bending vibrations, Renner Ч Teller effect, tetraatomic molecules, vibronic coupling      631
Bending vibrations, triatomic molecules      587Ч598 595Ч598
Bending vibrations, triatomic molecules, Hamiltonian selection      612Ч615
Bending vibrations, triatomic molecules, linear models      616Ч618
Bending vibrations, triatomic molecules, vibronic coupling, singlet states      599Ч600
Benzene molecule, conical intersections, two-state chemical reactions      436Ч438
Benzene molecule, direct molecular dynamics, complete active space self-consistent field (CASSCF) technique      407Ч410
Benzene molecule, loop construction, isomerization reactions      479Ч481
Benzene molecule, phase-change rule, pericyclic reactions      448Ч450
Benzvalene, loop construction, isomerization      479Ч481
Berens, P.      374(135) 428
Beretta, G.P.      212(219) 279
1 2 3 4 5 6 7 8 9 10 11 12
blank
–еклама
blank
blank
HR
@Mail.ru
       © Ёлектронна€ библиотека попечительского совета мехмата ћ√”, 2004-2019
Ёлектронна€ библиотека мехмата ћ√” | Valid HTML 4.01! | Valid CSS! ќ проекте