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Bernstein R.B. — Atom-Molecule Collision Theory: Guide for the Experimentalist |
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Предметный указатель |
Potential energy, effect of 671 (see also “Interaction potential and
Potential energy, impulsive interaction 661
Potential energy, long-range behavior of 671 674 684
Potential energy, Morse potential 660 661 665
Potential energy, representation of 670 684 685
Potential energy, repulsive exponential interaction 661
Potential energy, surface 670
Potential matrix 268—270 275 276 279 284 295 380 438
Potential matrix, classical turning point 295 296
Potential matrix, diagonal elements as a function of R 295 296
Potential, 113 116 187
Potential, anisotropic 5 9
Potential, atom—molecule 9
Potential, Barker — Pompe 122
Potential, Buckingham — Corner 120
Potential, Buckingham — Slater 117 120 136 141 142 151 176 178
Potential, Dueren — Schlier 120
Potential, effective 135
Potential, excited-state 4
Potential, exponential-spline-Morse-spline-van-der-Waals 122
Potential, ground state 4
Potential, Heller 121
Potential, interatomic 4
Potential, intermolecular 4
Potential, isotropic 22
Potential, Kihara 118 131
Potential, Klein — Hanley 119 120
Potential, Lennard — Jones (n, 6) 117—121 132—134 141 142 147—151 156 163 175 176 178
Potential, Maitland — Smith 119
Potential, models 116—123
Potential, Morse 118 141 142 150 178 182
Potential, Morse-Morse — van-der-Waals 121
Potential, Morse-spline — van-der-Waals 122
Potential, Simons-Parr-Finlan modified Dunham expansion 123 180 188
Potential, spherically symmetrical 19 113 124
Potential, two-piece Lennard — Jones 121
Predissociation 432
Prior expectation 8 541 542 604 614
probability matrix 717 720
Probability matrix at given temperature 722
Probability matrix at given total energy 721
Probability matrix, joint 718 719
Probability matrix, poor person’s 719 735
Probability matrix, prior and deviant 725
Probability matrix, reasonable person’s 717 738
Probability matrix, surprisal synthesis for 734
Probability, cumulative 365
Probability, density, reaction 591
Propagator for reactive scattering 582 583
Pseudocontinuum states in connection with collision-induced dissociation 663
Pseudopotential 181 189—191
Quasiclassical methods 394—397 417
R Matrix 245
R matrix, methods 251
R matrix, integration technique 585
R matrix, method 277 288—296 389 390
R matrix, method, connecting transformation 292 294
R matrix, method, physical interpretation 289
R matrix, method, propagation of 293 294
R matrix, method, pure rotational transitions 291
R matrix, method, radial equation 288
R matrix, method, Schroedinger equation with two-part potential 288
R matrix, method, step size 291 294
R matrix, method, theory 472
R matrix, method, Wigner 251 (see also “Reactance matrix”)
Radial wave function, behavior of 278 296
Rainbow 15 16 33
Random number 523 525
Random number, generation of 365
Rate 6 8 326
Rate coefficients 694
Rate coefficients, prior 708 726
Rate constants, prior 699
Rate constants, state-selected 519 535 538
Rate constants, state-to-state 3 240
Rate constants, thermal 519 524 525
Rate, state-to-state 3
Reactance matrix 275 277 280—282 286 291 293 297 385 387
Reaction, 488 606
Reaction, 633
Reaction, 607
Reaction, 487
Reaction, 601
Reaction, 628 629
Reaction, 14 620
Reaction, 67 600
Reaction, 626 628
Reaction, 599
Reaction, 627
Reaction, 611 626
Reaction, 577 578 607 626—628
Reaction, , -conserving approximation 482
Reaction, , asymmetric top basis 578
Reaction, , Born approximation 487 488
Reaction, , overlap model 495 496 499
Reaction, , probability density 591
Reaction, , quantized whirlpools 590—592
Reaction, 624 628
Reaction, 2 492 494—496 600 627 628 633—635
Reaction, 496
Reaction, 597 600 602 627
Reaction, , -conserving approximation 479—482
Reaction, , asymmetric top basis 578 587 588
Reaction, , distorted wave results 489 491 492
Reaction, , integration of close-coupled equations 584—586
Reaction, , overlap model 498 499
Reaction, , resonance energies 589 590
Reaction, , threshold energy 588 589
Reaction, 495 598
Reaction, 2 606
Reaction, 488
Reaction, 635
Reaction, 488 620
Reaction, 485 486 492
Reaction, 488
Reaction, 488
Reaction, 603
Reaction, 496
Reaction, 600
Reaction, 599 600
Reaction, 603 0
Reaction, 492 611
Reaction, 603
Reaction, 488
Reaction, bimolecular statistical theories 647
Reaction, complex-mode 7 27
Reaction, direct-mode 6 27
Reaction, ionization 29
Reagent energy consumption 730
Recombination, collision-induced 689
Recombination, three-body 671
Reduced mass, atom-diatom 430
Reduced mass, diatom 430
Reflection coefficient 290
Rejection method 5 24
Relaxation rates 410
Relaxation rates, rotational 413
Relaxation rates, vibrational 393 396 397 413
Relaxation, vibrational 23
Reorientation cross section, dwa and cc 211 212
Reorientation cross section, IOS — PCI 216
Reorientation cross section, IOS-l-SAIP 214 216
Reorientation cross section, IOS-l’-SAIP 214—216
Reorientation cross section, S-SF for small angles 218—220
Representation, adiabatic 428 429 433 435 438
Representation, diabatic 428 433 434 438 441 451
Representation, Feshbach 45 3 623
Representation, reduced adiabatic 437 438
Representation, reduced diabatic 437—439
Representation, Resonance 506
| Riccati — Bessel functions 286 293 297 385
Riccati — Neumann functions 297
Rotation eigenfunctions 267 268 273
Rotation eigenfunctions for a linear molecule 210 211
Rotation eigenfunctions for a molecule with tetrahedral symmetry 270
Rotation matrices 270 271
Rotation matrices, unitary property of 275 (see also “Rotation eigenfunctions”)
RRKM theory 649
Runge — Kutta — Gill integrator 515—517
S matrix 209 210 274 275 280 281 289 310 339 383
S matrix, classical 401—403 417 418
S matrix, reactive collisions 586 587
Sampling 520—530 535
Sampling in the interaction region 553 554
Sampling, crude Monte Carlo 520—525 527 529 540 548
Sampling, diophantine 520
Sampling, flat b 528
Sampling, importance 527—529 538
Sampling, nonuniform 526
Sampling, stratified 529 530
Sams and Kouri method 277—286 379 389
Sams and Kouri method, boundary conditions 280
Sams and Kouri method, integration step size 279 282
Sams and Kouri method, quadrature formula 281
Sams and Kouri method, stepping formulas 281
Scale factor for reactive scattering wave function 580
Scattering 15 16
Scattering amplitude 145 146 160 162 164 167 169—172 177 185 186 273—275 308—314 316 318-321 323 333 334 336 346 446
Scattering amplitude for atom -molecule scattering 274
Scattering amplitude in coupled representation 209 214
Scattering amplitude in dwa 210 211
Scattering amplitude in sudden approximation 214
Scattering amplitude in sudden approximation, PCI 216
Scattering amplitude in sudden approximation, S-SF 216
Scattering amplitude in sudden approximation, SCSF 216
Scattering amplitude in uncoupled representation 209
Scattering amplitude, -conserving 333
Scattering amplitude, arbitrary quantization axis 209
Scattering amplitude, Arthurs — Dalgarno 310 314 321
Scattering amplitude, Born 323
Scattering amplitude, CS 312 313 321
Scattering amplitude, definite polarization 323 346
Scattering amplitude, dependence on 274
Scattering amplitude, differential 308 309 311 318 323 333 336
Scattering amplitude, helicity 312 313 316 321 346
Scattering amplitude, IOS 319 320
Scattering amplitude, transition 309
Scattering matrix 146 154 184 185 246
Scattering matrix, unitarity 248
Scattering, classical theory 125
Scattering, coupled equations 474
Scattering, differential cross section 267 274
Scattering, elastic 2 4 5 9 15 19 32
Scattering, formal theory 469
Scattering, glory 130 136 138 139 150—152 169 170 173 175 178 179
Scattering, inelastic 2 5 6 10 19 239
Scattering, inelastic, atom-atom 445—451
Scattering, large-angle 131 132 168
Scattering, molecular 6
Scattering, molecular beam 9
Scattering, orbiting 133—136 147 152 156 166 171
Scattering, partial wave analysis 143
Scattering, quantal treatment 142
Scattering, rainbow 131 136—138 141 150 162 164—166 168 171 184 186 187
Scattering, reactive 2 6 9 13 14 25 26 28 29 33 467
Scattering, resonance 152 154—156 166—168
Scattering, rigid rotors boundary conditions 267 273 275
Scattering, rotational 5 19
Scattering, semiclassical theory 126 151 159 160 167
Scattering, shadow 33
Scattering, small-angle 129 132 171
Scattering, stationary theory 143 144 152
Scattering, time-independent Schrodinger equation 266
Scattering, vibrational 2 23 24
Scattering, wave vectors 267
Schroedinger equation 1 5
Seam, between potential surfaces 455—458
Secondary encounters 612 623 632
Selection rule, parity, for rotational, excitation 360 361 367
Selection rules 322
Self-consistent-field calculations 601 602
Semiclassical methods 397—411
Semiclassical methods, classical S-matrix method 401—403 406 418
Semiclassical methods, correspondence methods 403—408 418
Semiclassical methods, special cases 408—411
Sets, rotational basis on reaction collision matching surface 588
Sets, rotational basis, asymmetric top 479 497 577—579
Sets, rotational basis, free rotor 577 578
Sets, rotational basis, hindered rotor (see “Subentry asymmetric top above”)
Sets, rotational basis, partitioned rotors 579 580
Simpson’s rule 282 297
Slater type (STO-3G), (STO-4G) 49 (see also “Polarization functions”)
Slater — Kirkwood approximation 206
Solution of starting point 279 281
Solution-following technique 277—287 291 295 296
Solution-following technique, instability caused by closed channels 282
Solution-following technique, stabilization procedure 279 282 283
State-to-state processes 701 716 738
Statistical wight 528 530
Strong-coupling correspondence principle 407 408 418
Surface, matching, for reactive collisions 572—574 586—588
Surface, potential energy 1 4 6 8 23 24 32 34 505—509 558 596—608 614 615 621 624—636
Surface, potential energy, LEPS model 516 615 632 633
Surface, potential for reactive collisions 575 576
Surface, potential quasiadiabatic 495
Surprisal 7 8 695—697 725
Surprisal analysis 694 699 711 713 714 729 731 732
Surprisal analysis at given temperature 728
Surprisal analysis at given total energy 727
Surprisal, for reaction 499
Surprisal, linear 699
Surprisal, parameters 695
Surprisal, plot 700 713
Surprisal, rotational 699 700
Surprisal, synthesis 698 715 734 737
Surprisal, translational 710
Symmetry of a matrix 93
Symmetry, molecular 80 89 95
Symmetry, spin 89
T matrix 310 312—314 316 318 322 333
T matrix, Arthurs — Dalgarno 333
T matrix, helicity 313
T matrix, orientation-dependent 318
T matrix, reactive scattering 483 484 490 496
Tensor notation of intermolecular, potential terms 202—207
Theorem, Levinson’s 151 174
Theorem, optical 146 177
Theory, classical S matrix 506 555—557 561 595 596 607 622 634 635
Theory, distorted-wave 612
Theory, information 7 8 32 34
Theory, phase space, nonstatistical 614
Theory, phase space, statistical 541 595 603 604 614 628 706
Theory, probability matrix, classical 540
Theory, probability matrix, intermediate-coupling 614
Theory, RRKM 649
Theory, RRKM, scattering, reactive 477—503 567—594
Theory, RRKM, statistical 27
Theory, RRKM, transition-state 27 706
Threshold 29 31
Threshold energy for and reactions 588
Tolman method 538
Total angular momentum eigenfunctions 268 378
Total angular momentum eigenfunctions for atom-rotor 269
Total collision cross section (see “Integral”)
Trajectory, classical 7 24 81 106 505—561 595 605—607 614 621—636 669 684 688
Trajectory, classically forbidden 506 556
Trajectory, classically inaccessible 556
Trajectory, initial conditions, selection of, for rotational excitation 363
Trajectory, initial conditions, stratified sampling 371
Trajectory, initial conditions, uniform sampling 371
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