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



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

Автор: Bernstein R.B.

Аннотация:

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

Рубрика: Физика/

Статус предметного указателя: Готов указатель с номерами страниц

ed2k: ed2k stats

Издание: 1 edition

Год издания: 1979

Количество страниц: 779

Добавлена в каталог: 24.04.2010

Операции: Положить на полку | Скопировать ссылку для форума | Скопировать ID
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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, $\textit{ab initio}$      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, $F + H_{2}$ 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, $L^{2}$ 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, $Ar^{+} + H_{2}$      488 606
Reaction, $Ba + FH$      633
Reaction, $Ba + N_{2}O$      607
Reaction, $Cl + HI$      487
Reaction, $Cl + IBr$      601
Reaction, $Cl + Na_{2}$      628 629
Reaction, $Cs + CCl_{4}$      14 620
Reaction, $C^{+}+H_{2}$      67 600
Reaction, $F + D_{2}$      626 628
Reaction, $F + HBr$      599
Reaction, $F + HCl$      627
Reaction, $F + HD$      611 626
Reaction, $F + H^{2}$      577 578 607 626—628
Reaction, $F + H^{2}$, $j_{Z}$-conserving approximation      482
Reaction, $F + H^{2}$, asymmetric top basis      578
Reaction, $F + H^{2}$, Born approximation      487 488
Reaction, $F + H^{2}$, overlap model      495 496 499
Reaction, $F + H^{2}$, probability density      591
Reaction, $F + H^{2}$, quantized whirlpools      590—592
Reaction, $H + Br_{2}$      624 628
Reaction, $H + Cl_{2}$      2 492 494—496 600 627 628 633—635
Reaction, $H + F_{2}$      496
Reaction, $H + H_{2}$      597 600 602 627
Reaction, $H + H_{2}$, $j_{Z}$-conserving approximation      479—482
Reaction, $H + H_{2}$, asymmetric top basis      578 587 588
Reaction, $H + H_{2}$, distorted wave results      489 491 492
Reaction, $H + H_{2}$, integration of close-coupled equations      584—586
Reaction, $H + H_{2}$, overlap model      498 499
Reaction, $H + H_{2}$, resonance energies      589 590
Reaction, $H + H_{2}$, threshold energy      588 589
Reaction, $H + I_{2}$      495 598
Reaction, $H^{+}+D_{2}$      2 606
Reaction, $I + HI$      488
Reaction, $I + H_{2}$      635
Reaction, $K + Br_{2}$      488 620
Reaction, $K + CH_{3}I$      485 486 492
Reaction, $K + IBr$      488
Reaction, $K + I_{2}$      488
Reaction, $La+O_{2}$      603
Reaction, $Mu + F_{2}$      496
Reaction, $O + Br_{2}$      600
Reaction, $O + H_{2}$      599 600
Reaction, $O + H_{2}^{+}$      603 0
Reaction, $O^{+}+N_{2}$      492 611
Reaction, $Sc+O_{2}$      603
Reaction, $T + H_{2}$      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 $\chi^{(j)}$      267 268 273
Rotation eigenfunctions $\chi^{(j)}$ for a linear molecule      210 211
Rotation eigenfunctions $\chi^{(j)}$ 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, $I_{Z}$-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 $\varphi$      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 $H + H_{2}$ 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 $F + H_{2}$ and $H + H_{2}$ 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
1 2 3 4
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