QUANTUM REACTIVE SCATTERING VIA THE LOG DERIVATIVE VERSION OF THE KOHN VARIATIONAL PRINCIPLE - GENERAL-THEORY FOR BIMOLECULAR CHEMICAL-REACTIONS

被引:85
作者
MANOLOPOULOS, DE [1 ]
DMELLO, M [1 ]
WYATT, RE [1 ]
机构
[1] UNIV TEXAS,INST THEORET CHEM,AUSTIN,TX 78712
关键词
D O I
10.1063/1.457428
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:6096 / 6102
页数:7
相关论文
共 65 条
[51]   ATOM-DIATOM REACTIVE SCATTERING .2. H+H-2 AND ITS ISOTOPOMERS, J=O [J].
WEBSTER, F ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :300-321
[52]   ATOM-DIATOM REACTIVE SCATTERING .1. QUANTUM-THEORY [J].
WEBSTER, F ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1989, 90 (01) :265-299
[53]   R-MATRIX THEORY FOR MOLECULE SURFACE SCATTERING - ROTATIONALLY INELASTIC-SCATTERING OF HD FROM SMOOTH METAL-SURFACES [J].
WHALEY, KB ;
LIGHT, JC .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (04) :2144-2153
[54]   HIGHER ANGULAR MOMENTA AND LONG RANGE INTERACTION IN RESONANCE REACTIONS [J].
WIGNER, EP ;
EISENBUD, L .
PHYSICAL REVIEW, 1947, 72 (01) :29-41
[55]   BLOCK LANCZOS APPROACH COMBINED WITH MATRIX CONTINUED-FRACTION FOR THE S-MATRIX KOHN VARIATIONAL PRINCIPLE IN QUANTUM SCATTERING [J].
YANG, WT ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (06) :3504-3508
[56]   CONVERGED 3-DIMENSIONAL QUANTUM-MECHANICAL REACTION PROBABILITIES AND DELAY TIMES FOR THE F+H-2 REACTION ON A POTENTIAL-ENERGY SURFACE WITH A REALISTIC EXIT VALLEY [J].
YU, CH ;
KOURI, DJ ;
ZHAO, MS ;
TRUHLAR, DG ;
SCHWENKE, DW .
CHEMICAL PHYSICS LETTERS, 1989, 157 (06) :491-495
[57]   QUANTUM SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE [J].
ZHANG, JZH ;
CHU, SI ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (10) :6233-6239
[58]   QUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE - INTEGRAL CROSS-SECTIONS FOR H+H2(V1=J1=0)-]H2(V2=1,J2=1,3)+H IN THE ENERGY-RANGE ETOTAL=0.9-1.4 EV [J].
ZHANG, JZH ;
MILLER, WH .
CHEMICAL PHYSICS LETTERS, 1988, 153 (06) :465-470
[59]   QUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE - DIFFERENTIAL AND INTEGRAL CROSS-SECTIONS FOR D+H2-]HD+H [J].
ZHANG, JZH ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (03) :1528-1547
[60]   ACCURATE 3-DIMENSIONAL QUANTUM SCATTERING CALCULATIONS FOR F+H2-]HF+H [J].
ZHANG, JZH ;
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4549-4550