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Àâòîðèçàöèÿ |
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Ïîèñê ïî óêàçàòåëÿì |
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Bernstein R.B. — Atom-Molecule Collision Theory: Guide for the Experimentalist |
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Ïðåäìåòíûé óêàçàòåëü |
potential surface 58 62
potential surface 69 70
potential surface 64 65
potential surface 558
potential surface 67—70
potential surface 54—56
potential surface 55—57
-conserving method 272 (see also “Coupled-states approximation”)
potential surface 53 54
potential surface 53
potential surface 65—68
Abbreviations, glossary of 233 — 234
Action integrals for curved trajectories 208 228
Action integrals for straight trajectories 207 — 208
Action-angle variables 396 401
Adams integrator 516 — 517
Adams — 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 — solution approach (AS) 276 — 284 286 287
Approximate-potential approach (AP) 276 284
Approximate-potential approach (AP), perturbation correction 285 — 287
Approximate-potential approach (AP), usage suited for 286
Approximation 259 — 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 — 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), Davidson’s 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 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 — Condon 429 —
Approximation (cont'd), high energy 147 —
Approximation (cont'd), impact parameter 398 418
Approximation (cont'd), impulse 409
Approximation (cont'd), impulse, for collision — induced dissociation 659
Approximation (cont'd), indecent 261
Approximation (cont'd), infinite order sudden (IOS) 260 — 262 301 316 317 319 326 327
Approximation (cont’d), -conserving for reactive scattering 477 — 482
Approximation (cont’d), -conserving, coupled states (see also “Subentry coupled states above”)
Approximation (cont’d), -conserving 260 330 334 342 343 345 348
Approximation (cont’d), Landau — Zener 6 442 446 450 459 460 559 606 607
Approximation (cont’d), Magnus 584
Approximation (cont’d), momentum 140 141
Approximation (cont’d), neglect of translational energy defect 412
Approximation (cont’d), perturbation theory 254
Approximation (cont’d), potential energy surface 393
Approximation (cont’d), quantal 260
Approximation (cont’d), random phase 449
Approximation (cont’d), rigid rotor 362
Approximation (cont’d), RRHO (rigid-rotator-harmonic-oscillator) 708 709 738 740 741
Approximation (cont’d), semiclassical 6 260 339 351
Approximation (cont’d), Slater — Kirkwood 206
Approximation (cont’d), stationary phase 446
Approximation (cont’d), strong — coupling correspondence principle 261 340 341
Approximation (cont’d), Stueckelberg 442 444 453 458 460
Approximation (cont’d), sudden 214 — 230 306 398 400 402 412 418
Approximation (cont’d), sudden, for reactive collisions 500
Approximation (cont’d), two-level 204 — 206
Approximation (cont’d), Uensold 204 — 206
Approximation (cont’d), WKB 260 262 338 339 350 384
Arrangement tubes 572 — 574
Asymmetric top wave functions (see “Sets rotational
Asymptotic expansion 385 — 387
Basis functions, atomic 84 — 87
Basis functions, diatomic 86 — 87
Basis functions, direct product of 86 — 87
Basis functions, polyatomic 84 87
Basis sets (cont’d), minimum (MBS) 48
Basis sets, contracted Gaussian 49
Basis sets, double — 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 — Fischer — 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 — Oppenheimer 427 506 508
Born — 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 — Wigner formula 155
Bulirsch — Stoer method 516
Calculation, Hartree—Fock 436
Centrifugal sudden 262 (see also “Sub-entry coupled states below”)
Channel, bound 674 — 675 681 684
Channel, coupling matrix 471
Channel, dissociation 670 676
Channel, identification of product 679 — 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 — 261 315 337 347
Close — coupled equations in reactive scattering 581 — 582
Close — coupling calculation, noncentral potentials 208 — 210
Close — coupling equations solution of 272 — 276
Close — coupling formalism for rotational scattering 267 — 276
Closed channels 280 — 284 289 386 388
Coefficient 321 322 325 336 337
Coefficient (cont’d), rate 3 9
Coefficient (cont’d), spectroscopic 322 325
Coefficient (cont’d), transport 326
Coefficient, dynamical 322
Coefficient, Percival — Seaton 321 322 337
Collinear model 378 379 388 397 412
Collision, atom-molecule 1 — 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 — 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 64—65 67 69 71
Configuration interaction (Cl), PNO—CI 71
Configuration interaction (Cl), POL—CI 52
Configuration interaction (Cl), single and double excitations (S+D CI) 50—52
Constants of the motion 509—511
Constraints 695 696 700 701 714 734
Coordinate system, A + BC scattering 362
Coordinate system, rotating 431
Coordinates, bending 572
Coordinates, body-fixed 478 568—570
Coordinates, Cartesian 508—509 530
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 478 570—572 630
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 50—52
Correlations, vector-vector 620
Correspondence methods 403—408 417 418
Correspondence methods, decent and indecent methods 403—407 417 418
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 81—83 105 107 108 428 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 98 102—104
Cross section 5 6 34 311 314—316 320 322 324—330 333 336 347 “Inelastic “Integral “Reorientation
Cross section for rotational excitation 368
Cross section, -conserving 333
Cross section, -conserving definite polarization 336
Cross section, -conserving total 336
Cross section, atom-atom differential inelastic 429 446—449
Cross section, atom-atom total inelastic 429 449—451
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 314—316
Cross section, degeneracy averaged 311 314 320 347
Cross section, differential 3 17 19 22—25 32 124 128—132 135—138 140 141 145 147—150 154 158 161 162 164—166 168 170 172 183 184 186—188 240 242 311
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 17—19 29 30 124 125 136 138 139 146 150—152 155 156 159 172 173 175—177 187 246
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 117 118 126—133 135 139 141 162 163 165 166 168 170 177 183 184 186 187
Deflection function, inelastic 446—448
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 218—220
Differential cross section, spin-averaged 274
Differential cross section, state-selected 274
Differential cross section, total, in sudden approximation 217—220 231 232
Dispersion terms for atom-open-shell-diatom 207
Dispersion terms for atom-tetrahedron 206
Dispersion terms of intermolecular potential 204—207
Dissociation, collision-induced 7 31 532 669 671—673 682 684 688
Dissociation, collision-induced predissociation 671—673
Dissociation, collision-induced, quantal treatment 655
Dissociation, energy 670 671 678—681
Dissociation, threshold 669
Distribution of nascent products 719
Distribution of reactive reactants 716 718 724 736
Distribution, angular 2 9 13 15 16 23—27 29 33
Distribution, energy 2 8
Distribution, flux (velocity-angle) 27 28
Distribution, marginal 709 736
Distribution, mutual 737 738
Distribution, prior 694 701—705 708 709 712 713 725 738 740
Distribution, product recoil 27
Distribution, product recoil velocity 26 27
Distribution, rotational 735
Distribution, rotational state reaction 499
Distribution, rotational state reaction 481 498 499
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