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Bernstein R.B. Ч Atom-Molecule Collision Theory: Guide for the Experimentalist
Bernstein R.B. Ч Atom-Molecule Collision Theory: Guide for the Experimentalist



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Ќазвание: Atom-Molecule Collision Theory: Guide for the Experimentalist

јвтор: Bernstein R.B.

јннотаци€:

The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experimental and theoretical. This is probably because elastic, inelastic, and reactive intermolecular collisions are of central importance in many of the fundamental processes of chemistry and physics.
One small area of this field, namely atom-molecule collisions, is now beginning to be "understood" from first principles. Although the more general subject of the collisions of polyatomic molecules is of great importance and intrinsic interest, it is still too complex from the viewpoint of theoretical understanding. However, for atoms and simple molecules the essential theory is well developed, and computational methods are sufficiently advanced that calculations can now be favorably compared with experimental results.


язык: en

–убрика: ‘изика/

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

ed2k: ed2k stats

»здание: 1 edition

√од издани€: 1979

 оличество страниц: 779

ƒобавлена в каталог: 24.04.2010

ќперации: ѕоложить на полку | —копировать ссылку дл€ форума | —копировать ID
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ѕредметный указатель
$F + H_{2}$ potential surface      58 62
$F + Li_{2}$ potential surface      69 70
$H + F_{2}$ potential surface      64 65
$H + H_{2}$ potential surface      558
$H + Li_{2}$ potential surface      67Ч70
$He + H_{2}CO$ potential surface      54Ч56
$H_{3}$ potential surface      55Ч57
$j_{Z}$-conserving method      272 (see also УCoupled-states approximationФ)
$Li^{+} + H_{2}$ potential surface      53 54
$Li^{+} + N_{2}$ potential surface      53
$N^{+} + H_{2}$ potential surface      65Ч68
Abbreviations, glossary of      233 Ч 234
Action integrals for curved trajectories      208 228
Action integrals for straight trajectories      207 Ч 208
Action-angle variables      396 401
Adams integrator      516 Ч 517
Adams Ч Moulton integrator      515 516
Adiabatic      398
Airy functions      285 287
Amplitude density method      277 291 295
Analytical continuation      444
Angular distributions, for rotational excitation      368
Angular momentum barrier due to rotation      670 671 678
Angular momentum barrier due to rotation, generalized      689
Angular momentum barrier due to rotation, rotational      678
Angular momentum barrier due to rotation, transfer      323
Apparatus      10 13 14
Apparatus, molecular beam      10
Apparatus, scattering      12
Approximate Ч solution approach (AS)      276 Ч 284 286 287
Approximate-potential approach (AP)      276 284
Approximate-potential approach (AP), perturbation correction      285 Ч 287
Approximate-potential approach (AP), usage suited for      286
Approximation      259 Ч 262 301 306 308 310 312 319 323 325 330 333 393
Approximation (cont'd), classical      6
Approximation (cont'd), classical perturbation theory      340
Approximation (cont'd), classical trajectory      261 Ч 262
Approximation (cont'd), closure      306 330
Approximation (cont'd), correspondence principle      261
Approximation (cont'd), coupled states      262 301 306 308 317 319 330 336 337 341
Approximation (cont'd), DavidsonТs      52
Approximation (cont'd), decent      261
Approximation (cont'd), decoupled l-dominant      336 337 345 351
Approximation (cont'd), Demkov      445 446 449 450 458
Approximation (cont'd), diatomics-in-molecules      440
Approximation (cont'd), dimension-reducing      253
Approximation (cont'd), dimensional      393
Approximation (cont'd), distorted wave Born (DWBA) for collision-induced dissociation      659
Approximation (cont'd), distorted wave Born (DWBA), application to $H+H_{2}$ reaction      491-492
Approximation (cont'd), distorted wave Born (DWBA), formalism for reactive scattering      484
Approximation (cont'd), dynamical      393 398 411
Approximation (cont'd), effective potential      272 379 380 381
Approximation (cont'd), energy sudden      260 319 323 342
Approximation (cont'd), exponential distorted wave      338
Approximation (cont'd), Franck Ч Condon      429 Ч
Approximation (cont'd), high energy      147 Ч
Approximation (cont'd), impact parameter      398 418
Approximation (cont'd), impulse      409
Approximation (cont'd), impulse, for collision Ч induced dissociation      659
Approximation (cont'd), indecent      261
Approximation (cont'd), infinite order sudden (IOS)      260 Ч 262 301 316 317 319 326 327
Approximation (contТd), $j_{Z}$-conserving for reactive scattering      477 Ч 482
Approximation (contТd), $j_{Z}$-conserving, coupled states      (see also УSubentry coupled states aboveФ)
Approximation (contТd), $l_{Z}$-conserving      260 330 334 342 343 345 348
Approximation (contТd), Landau Ч Zener      6 442 446 450 459 460 559 606 607
Approximation (contТd), Magnus      584
Approximation (contТd), momentum      140 141
Approximation (contТd), neglect of translational energy defect      412
Approximation (contТd), perturbation theory      254
Approximation (contТd), potential energy surface      393
Approximation (contТd), quantal      260
Approximation (contТd), random phase      449
Approximation (contТd), rigid rotor      362
Approximation (contТd), RRHO (rigid-rotator-harmonic-oscillator)      708 709 738 740 741
Approximation (contТd), semiclassical      6 260 339 351
Approximation (contТd), Slater Ч Kirkwood      206
Approximation (contТd), stationary phase      446
Approximation (contТd), strong Ч coupling correspondence principle      261 340 341
Approximation (contТd), Stueckelberg      442 444 453 458 460
Approximation (contТd), sudden      214 Ч 230 306 398 400 402 412 418
Approximation (contТd), sudden, for reactive collisions      500
Approximation (contТd), two-level      204 Ч 206
Approximation (contТd), Uensold      204 Ч 206
Approximation (contТd), WKB      260 262 338 339 350 384
Arrangement tubes      572 Ч 574
Asymmetric top wave functions      (see УSets rotational
Asymptotic expansion      385 Ч 387
Basis functions, atomic      84 Ч 87
Basis functions, diatomic      86 Ч 87
Basis functions, direct product of      86 Ч 87
Basis functions, polyatomic      84 87
Basis sets (contТd), minimum (MBS)      48
Basis sets, contracted Gaussian      49
Basis sets, double Ч zeta plus polarization (DZ+P)      50
Basis sets, double-zeta (DZ)      49
Basis, adiabatic      428 434
Basis, asymptotic diabatic      428
Basis, diabatic      428 433 438
Basis, energy      35
Basis, reduced adiabati      429 438
Basis, reduced diabatic      438
Bauer Ч Fischer Ч Gilmore      429 453
Beam, molecular      2 3
Bessel functions      280
Body-fixed coordinate system      269 271 272
Bond stretching      457
Born      147 321 410
Born approximation      147
Born Ч Oppenheimer      427 506 508
Born Ч Oppenheimer equation      435
Born, for reactive scattering      477 488
boundary conditions      308 317 330
Branching ratios      736
Breathing sphere      399 400 413
Breathing sphere model      379
Breit Ч Wigner formula      155
Bulirsch Ч Stoer method      516
Calculation, HartreeЧFock      436
Centrifugal sudden      262 (see also УSub-entry coupled states belowФ)
Channel, bound      674 Ч 675 681 684
Channel, coupling matrix      471
Channel, dissociation      670 676
Channel, identification of product      679 Ч 682
Channel, product      669 671 676
Channel, quasibound      670 671 674 678 681
Channel, reactant      676
Charge transfer      429 440 452 456 669
Chebyshev quadrature      514 515
Chemical dynamics      254
Classical mechanics, conditions for validity of      393
Classical trajectory method accuracy and validity of, for rotational excitation      359
Close coupling      259 Ч 261 315 337 347
Close Ч coupled equations in reactive scattering      581 Ч 582
Close Ч coupling calculation, noncentral potentials      208 Ч 210
Close Ч coupling equations solution of      272 Ч 276
Close Ч coupling formalism for rotational scattering      267 Ч 276
Closed channels      280 Ч 284 289 386 388
Coefficient      321 322 325 336 337
Coefficient (contТd), rate      3 9
Coefficient (contТd), spectroscopic      322 325
Coefficient (contТd), transport      326
Coefficient, dynamical      322
Coefficient, Percival Ч Seaton      321 322 337
Collinear model      378 379 388 397 412
Collision, atom-molecule      1 Ч 5 8 24 31 34 35
Collision, atom-molecule, elastic      29
Collision, atom-molecule, inelastic      9
Collision, atom-molecule, inelastic energy transfer      11
Collision, atom-molecule, intermolecular      1 Ч 4 9 35
Collision, atom-molecule, nonadiabatic      12 558 596 603 630 631 636
Collision, atom-molecule, reactive      6 35
Complex, long-lived      595 603 612 614
Confidence limits      521
Configuration interaction (Cl)      50 436 438 439
Configuration interaction (Cl), effects of      55 5 7 59 64Ч65 67 69 71
Configuration interaction (Cl), PNOЧCI      71
Configuration interaction (Cl), POLЧCI      52
Configuration interaction (Cl), single and double excitations (S+D CI)      50Ч52
Constants of the motion      509Ч511
Constraints      695 696 700 701 714 734
Coordinate system, A + BC scattering      362
Coordinate system, rotating      431
Coordinates, bending      572
Coordinates, body-fixed      478 568Ч570
Coordinates, Cartesian      508Ч509 530
Coordinates, Center-of-mass      510
Coordinates, cyclic      509 510
Coordinates, generalized      509 511 523 530 532
Coordinates, internal      509
Coordinates, Jacobi      509 510
Coordinates, natural collision      478 570Ч572 630
Coordinates, nonorthogonal      474
Coordinates, reaction      474
Coordinates, reference      508 509 530
Coordinates, vibration      571
Coriolis interaction      478 574 577
Correlation diagrams      65 66 599 600
Correlation energy      50Ч52
Correlations, vector-vector      620
Correspondence methods      403Ч408 417 418
Correspondence methods, decent and indecent methods      403Ч407 417 418
Correspondence methods, strong-coupling correspondence principle      407 408 418
Correspondence rule, final rotational quantum number and      367
Correspondence rule, initial rotational quantum number and      364
Coupled electron pair approximation (CEPA)      52
Coupled scattering equations      276
Coupled scattering equations, integral equation      280
Coupled scattering equations, matrix notation      276
Coupled scattering equations, methods for solving, general remarks on      277 278
Coupled-states approximation      272 379 380 384
Coupling, angular      83 93 102 104 428 432
Coupling, Coriolis      428 432
Coupling, Demkov      428 429 435 43 7 444 445 460 461
Coupling, diabatic      429
Coupling, nonadiabatic      81Ч83 105 107 108 428 434439 445
Coupling, radical      428 432
Coupling, rotational-vibrational      410 413 417 418
Coupling, spin-orbit      82 83 104 105 439 441
Coupling, spin-recoupling      98 102Ч104
Cross section      5 6 34 311 314Ч316 320 322 324Ч330 333 336 347 УInelastic УIntegral УReorientation
Cross section for rotational excitation      368
Cross section, $l_{Z}$-conserving      333
Cross section, $l_{Z}$-conserving definite polarization      336
Cross section, $l_{Z}$-conserving total      336
Cross section, atom-atom differential inelastic      429 446Ч449
Cross section, atom-atom total inelastic      429 449Ч451
Cross section, atom-molecule collision      31
Cross section, collision      2 10
Cross section, collision-induced dissociation      658
Cross section, CS differential      311 314
Cross section, CS integral      311 314
Cross section, CS relaxation      314Ч316
Cross section, degeneracy averaged      311 314 320 347
Cross section, differential      3 17 19 22Ч25 32 124 128Ч132 135Ч138 140 141 145 147Ч150 154 158 161 162 164Ч166 168 170 172 183 184 186Ч188 240 242 311
Cross section, double-resonance      315
Cross section, effective      124
Cross section, elastic scattering      4 15
Cross section, excitation      10
Cross section, generalized integral      327
Cross section, incomplete      138 139
Cross section, inelastic      10
Cross section, integral      3 20 311
Cross section, integral elastic      9
Cross section, integral spin-averaged      275
Cross section, integral, for rotational excitation      368 372
Cross section, IOS      322
Cross section, IOS definite polarization      325
Cross section, IOS degeneracy averaged      324 328
Cross section, IOS differential      324 329
Cross section, IOS inelastic      325
Cross section, IOS integral      325 330
Cross section, IOS relaxation      325 326 329
Cross section, IOS thermally averaged      326
Cross section, IOS total      325
Cross section, line shape      315
Cross section, molecular collision      2
Cross section, prior      708
Cross section, quantum vs. classical, for rotational excitation      359 360
Cross section, Raman line shape      315
Cross section, reaction      7 14 27 33
Cross section, reactive      9 11 467
Cross section, rotational      10
Cross section, rotational relaxation      315
Cross section, rotationally inelastic differential      22
Cross section, scattering      2 4 9 17 30
Cross section, spin-rotation      315
Cross section, spin-spin      315
Cross section, state-selected      274
Cross section, state-to-state      2 8 14 20 22 240 329 649
Cross section, state-to-state, for rotational excitation      359 372
Cross section, total      17Ч19 29 30 124 125 136 138 139 146 150Ч152 155 156 159 172 173 175Ч177 187 246
Cross section, total elastic      17
Cross section, total ionization      456
Cross section, vibrational      10
Cross section, vibrational excitation      23
Crossing, avoided      558 604
Curvature of reaction path      631 632
Curve crossing      6 11 280 295 296
Curve crossing, multistate      451 45 3
Curve crossing, potential      6 10 11
Curve crossing, two-state      429 437 442 445
Decoupling of angular momenta      439 441
Deexcitation, rotational      22
Deflection function      117 118 126Ч133 135 139 141 162 163 165 166 168 170 177 183 184 186 187
Deflection function, inelastic      446Ч448
Density of states      702 721 739
Density of states, internal      707 711
Density of states, translational      739
Detailed balance      324 325 406 407 720 723 738
Detailed quantum transition state theory      500
DeVogelaere method      277
Differential cross section      267 274
Differential cross section for state-selected molecules      201 208 217
Differential cross section, degeneracy averaged      217 231 232
Differential cross section, large angles      220
Differential cross section, small angles      218Ч220
Differential cross section, spin-averaged      274
Differential cross section, state-selected      274
Differential cross section, total, in sudden approximation      217Ч220 231 232
Dispersion terms for atom-open-shell-diatom      207
Dispersion terms for atom-tetrahedron      206
Dispersion terms of intermolecular potential      204Ч207
Dissociation, collision-induced      7 31 532 669 671Ч673 682 684 688
Dissociation, collision-induced predissociation      671Ч673
Dissociation, collision-induced, quantal treatment      655
Dissociation, energy      670 671 678Ч681
Dissociation, threshold      669
Distribution of nascent products      719
Distribution of reactive reactants      716 718 724 736
Distribution, angular      2 9 13 15 16 23Ч27 29 33
Distribution, energy      2 8
Distribution, flux (velocity-angle)      27 28
Distribution, marginal      709 736
Distribution, mutual      737 738
Distribution, prior      694 701Ч705 708 709 712 713 725 738 740
Distribution, product recoil      27
Distribution, product recoil velocity      26 27
Distribution, rotational      735
Distribution, rotational state $F + H_{2}$ reaction      499
Distribution, rotational state $H + H_{2}$ reaction      481 498 499
1 2 3 4
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