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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
Distribution, speed      9
Distribution, theoretical      705
Distribution, translational      706 735
Distribution, velocities      10 15
Distribution, vibrational      724
Distribution, vibrational state $F + H_{2}$ reaction      487 499
Distribution, vibrational state $H + Cl_{2}$ reaction      494
Distribution, vibrational state $K + Br_{2}$ reaction      489
Doubling, $\lambda$-type      432
Drude model      204 205
Dynamics, chemical reaction      27
Dynamics, molecular      2
Dynamics, statistical      8
Eccentricity effects      207
Ehrenfest relation      506
Ehrenfest theorem applied to      403 404
Ehrenfest theorem, application to forced harmonic oscillator      403 404
Electron jumps      608 609 616 620
Electronegativity      601
Energy release, attractive      628 633
Energy release, induced      633
Energy release, mixed      629—632
Energy release, repulsive      616 617 619 620 629—633
Energy, activation      538 539
Energy, collision      2 5
Energy, dissociation      7
Energy, epithermal      5 28
Energy, internal      8 9 29 31
Energy, resonance $F + H_{2}$ reaction      590
Energy, resonance $H + H_{2}$ reaction      589 590
Energy, thermal      5 28
Energy, threshold, for $H + H_{2}$ and $F + H_{2}$ reactions      588
Energy, transfer, rotational      699 700 730
Energy, translational      8—10 14 28 29
entropy      701 703
Entropy, deficiency      32 33 695 696 703 705 710 712 713 725 744
Entropy, maximal      698 703 704 715 744 745
Equations of motion for A + BC scattering      362
Equations, close-coupled      243
Equations, integral      249
Equations, integration of      365
Equations, rigid rotor constraint      363
Equations, Runge — Kutta — Gill, Adams — Moulton algorithms      365
Excitation      10 12
Excitation, electronic      5 24 427—465
Excitation, internal      26
Excitation, rotational      5
Excitation, vibrational      5
Experiment      1—3 6 8 10 14
Exponential gap      728
Extrema, glory      18 19
F + HF potential surface      64 65
Factorization      260 261 320 321 323—326 333 334 336 343 347 348
Factorization, dynamical coefficients      260 261
Failings of, for rotational excitation      361
Filon quadrature      383 384
Flux map, $F + H_{2}$ reaction      591
Form factors, reactive scattering      486 487
Franck-Condon overlap models      (see “Overlap”)
Functions, vibrational basis      576
Gauss — Mehler quadrature      515
Gaussian quadrature      383
Gear integrator      517
Glory      19
Glory part of integral cross section, FOS — PCI      227 228 231 232
Glory part of integral cross section, IOS — PCI      226 227 231 232
Glory part of integral cross section, IOS — SAIP      227 231 232
Glory part of integral cross section, S — SF      228—232
Glory undulations      226—230
Gordon integration technique      584
Gordon method      277 284—287 291 389
Gordon method, asymptotic boundary conditions      286
Gordon method, step size      286 287 294
H + BrH potential surface      71
H + ClH potential surface      70 71
H + HF potential surface      60 62—63
Hamiltonian, body-fixed      428 431
Hamiltonian, electronic      429 431 433
Hamiltonian, operator, reactive collisions      574
Hamiltonian, vibrational      574 576
Hamming integrator      517
Hankel functions      280
harmonic oscillator      406 414—416
Helicity representation      491
Histogram methods      358 396 399 403
Hund’s cases      428
Independent electron pair approximation (IEPA)      53
Induction terms of intermolecular potential      204
Inelastic collision      259
Inelastic collision, electronic excitation      261
Inelastic collision, rotation-vibrational excitation      261
Inelastic collision, rotational excitation      260 261
Inelastic collision, vibrational excitation      261
Inelastic cross section, dwa      211 212
Inelastic cross section, sudden approximation      217—220
Infinite-order sudden approximation      379 382 384
Infinite-order sudden approximation with vibration present      382 385
Infinite-order sudden approximation, S matrix      383 384
Information content      31 34 695
Information theory      7 8 32 34 372 540 541 604 614 695
Informative observables      (see “Constraints”)
Initial conditions      (see “Trajectory initial
Integral cross section      213
Integral cross section with state-selected molecules      201 209
Integral cross section, arbitrary long-range dependence      225 226
Integral cross section, arbitrary quantization axis      209 210
Integral cross section, dwa      212—214
Integral cross section, influence of multipole terms      223—225
Integral cross section, sudden approximation      220—230
Interaction potential      270—272 277 289 295 390 398 415—417
Interaction potential for A + BC scattering      362
Interaction potential for an atom-linear^nolecule system      272
Interaction potential for an atom-molecule system      271
Interaction potential, approximation of      284
Interaction potential, asymptotic region      282
Interaction potential, long-range      282 284 385—387
Interaction potential, long-range behavior, importance of      410 416—418
Interaction, strong-coupling region      674—678 680 688 689
Interference, quantum      15 16
Interference, semiclassical      453 458 460
Interference, structure, averaging      392 (see also “Oscillations rainbow” “Oscillations Stueckelberg”)
Intermolecular potential, atom-diatom      203 207 224 225
Intermolecular potential, azimuthal angle dependence      202 207
Intermolecular potential, cylindrical symmetry      202 203
Intermolecular potential, dispersion terms      204—207
Intermolecular potential, general anisotropic terms      202 203 211—213
Intermolecular potential, induction terms      204
Intermolecular potential, long-range      203—207
Intermolecular potential, mass eccentricity      207
Intermolecular potential, multipole terms      203 204
Intermolecular potential, open electron shell      208
Intermolecular potential, tetrahedral symmetry      206
Intersection of potential curves      427 429
Intersection of potential surfaces      427 445 458 459
Invariant-imbedding technique      277 280 288—297
Invariant-imbedding technique, boundary conditions for the two-part potential problem      290
Invariant-imbedding technique, connection formula      289
Invariant-imbedding technique, stability      291 294
inversion      179 181
Ionization, collisional      11 12 24
ITFITS model      409
Kinematic coupling      478 481 496 497 577 582
Kinetics      2
l-labeling      308 312—314 316 320 346 347
l-labeling, $CS-l_{f}$      314—316
l-labeling, $CS-l_{i}$      314—316
l-labeling, $IOS-l_{f}$      320
l-labeling, $IOS-l_{i}$      320
l-labeling, final l-labeling      312 313 316 346 347
l-labeling, initial l-labeling      308 313 316 317
Landau — Zener matrix element      30 31
Landau — Zener theory      24
Laser      3 29 35
Legendre polynomials      547 548 550
Levinson theorem      151 174
Li + HF potential surface      72
Lifetime of quasibound molecule      670 678 679
Light and Walker, method of      (see “R matrix method”)
Light, method of      277 287 294 389 390
Limit, adiabatic      427 435
Line shape      326
Lippmann — Schwinger equations      483
Log-derivative method      277 280 288 291 295—297 389
Log-derivative method, propagation of      297
Log-derivative method, radial equations      297
London-Eyring-Polanyi-Sato (LEPS), surface      60—63
Magnetic transitions      304 305 310—314 316 320 323—325 332 336 344—347
Magnetic transitions, definite polarization      323 325 336
Magnetic transitions, intermultiplet transitions      344
Magnetic transitions, projection on incident momentum      320
Magnetic transitions, quantization axis      304 305 311 312 314 320 332 336 347
Magnus expansion      287 294
Masses, reduced      510
Matrix, fragment      83 86 88 90 93 95 104
Matrix, Hamiltonian      83 84 86 88 93 94
Matrix, Landau — Zener      45 3 455
Matrix, non — Hermitian      89 98
Matrix, overlap      83 85 89
Matrix, overlap in reactive scattering      583 584
Matrix, rotation      84 85 90 91 93
Mechanism      6
Method, approximation      4 5 32
Method, classical      31
Method, classical path      559 605 607
Method, decent and indecent      403—407 414 416—418
Method, PRDDO      601
Method, quantal      6
Method, quasiclassical trajectory      6
Method, semiclassical approximation      6 32
Method, trajectory, accuracy of      506 507 516—518 541 595 621 633—636
Method, trajectory, bins      535 538 540 542 543 546 550
Method, trajectory, classical P matrix theory      540
Method, trajectory, classical S matrix theory      5 06 555—557 561 595 596 607 622 634 635
Method, trajectory, combined phase-space-trajectory theory      554
Method, trajectory, computer programs      515 516 551 552
Method, trajectory, decoupling approximations      607
Method, trajectory, end test      518
Method, trajectory, histogrammic representations      534—540 542—547 549-551
Method, trajectory, moment methods      540—542 547—551
Method, trajectory, product state distributions      530—535 539—551 627—635
Method, trajectory, quantized final conditions      507 508 532—534 539—542 549 552
Method, trajectory, quasiclassical (meaning)      508
Method, trajectory, quasiclassical final conditions      595 596
Method, trajectory, quasiclassical initial conditions      507 508 511—515 518—520 528 535 552 595 596
Method, trajectory, reverse histogram method      552 553
Method, trajectory, sampling      (see “Sampling”)
Method, trajectory, surface-hopping      55 9—5 61 605—607
Method, trajectory, symmetrically averaged conditions      553—555
Method, trajectory, unquantized conditions      553 554
Method, trajectory, Wigner distribution      557 558
Microscopic reversibility      247 649
Migration      620 623
Model, BEBO      615
Model, classical      682—688
Model, DIPR      616—621 624 625 628
Model, dynamical      7 34
Model, FOTO      615 621
Model, hard-sphere      608 609 613 683 684
Model, harpoon      31 608
Model, Langevin      609
Model, one-dimensional (or collinear) for diatomic molecule by atom      656
Model, optical potential      612
Model, overlap, reactive collisions      492—500
Model, phase space      689
Model, sequential impulse      612
Model, spectator-stripping      488 489
Model, square-well      684—688
Model, statistical      28 688 689
Model, theoretical      3
Model, two-body      683
Molecular beam      2
Molecular orbitals      601 602
Moment methods      396 403 540—542 547—551
Moment methods for rotational excitation      372
Momentum approximation      140 141
Monte Carlo method      395 402 403
Morse oscillator      406 409 413—415
Multipole terms of intermolecular potential      203 204
Network, vibronic      451—455 461
Neumann functions      280
Newton — Raphson method      514 515 524 533 534 546
Nonadiabatic transitions      (see “Transition nonadiabatic”)
Noncentral potentials, action integrals      207 208 229
Noncentral potentials, dispersion terms      204—207
Noncentral potentials, elastic cross sections      214—217
Noncentral potentials, general conclusions      230—232
Noncentral potentials, general terms      202 203
Noncentral potentials, induction terms      204
Noncentral potentials, multipole terms      203 204
Nordsieck integrator      516 517
Nozzle beams, supersonic      9
Numerical methods      259 260
Opacity function      611
Open channels      280 281 284 289 386
Optical theorem      146 177 322 326
Oscillations, diffraction      34
Oscillations, model      204—206
Oscillations, rainbow      449
Oscillations, Stueckelberg      447—449 454 semiclassical”)
Overlap, Franck — Condon      452 454
Partial averaging technique      402
persuasion      705 742
Perturbation, classical      407 408 411 412 418
Perturbation, spectroscopic      432
Perturbation, theory      410
Perturbed symmetric resonance      (see “Coupling” “Demkov”)
Phase correction, nonadiabatic      443
Phase shift      117 118 146 147 154 156 162 163 166 167 168 171 176—178 183 184
Phase shift, general      210
Phase shift, semiclassical      215 216 224
Polarization functions      50
Polarization functions, effects of      59 64 65 67
Polyatomics      35
Polynomials, Hermite      373
Polynomials, Legendre      362
Potential      2 9 16 17 33 34
Potential at large intermolecular distances      114
Potential at small separations      115
Potential curve, adiabatic      437 443 446 451
Potential curve, diabatic      437 443 444 451
Potential energy of interaction, for collision-induced dissociation      657
Potential energy surfaces      413—418
Potential energy surfaces, $\textit{ab initio}$      79—82
Potential energy surfaces, adiabatic      437 438 455 458
Potential energy surfaces, anisotropic      19
Potential energy surfaces, asymptotic region of      80
Potential energy surfaces, avoided crossing of      671—673 676
Potential energy surfaces, calculation of      79 81
Potential energy surfaces, derivatives of      81 82 105
Potential energy surfaces, diabatic      437
Potential energy surfaces, effect of several      672 673
Potential energy surfaces, LEPS      106
Potential energy surfaces, nonreactive      53
Potential energy surfaces, reactive      55
Potential energy surfaces, representation of      79—81
Potential energy surfaces, semi-empirical DIM      82—105
Potential energy surfaces, semi-empirical SCF — HF      81
Potential energy surfaces, semi-empirical valence-bond      82 106 107
Potential energy surfaces, sensitivity of vibrational excitation to      415 416
Potential energy surfaces, strong-coupling region of      80
1 2 3 4
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