DIRECT CALCULATION OF QUANTUM-MECHANICAL RATE CONSTANTS VIA PATH INTEGRAL METHODS - APPLICATION TO THE REACTION-PATH HAMILTONIAN, WITH NUMERICAL TEST FOR THE H + H-2 REACTION IN 3D

被引：102

作者：

YAMASHITA, K

MILLER, WH

机构：

[1] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT & MOLEC RES,BERKELEY,CA 94720

来源：

JOURNAL OF CHEMICAL PHYSICS | 1985年 / 82卷 / 12期

关键词：

D O I：

10.1063/1.448582

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：5475 / 5484

页数：10

相关论文

共 37 条

[1] DYNAMICS OF HYDROGEN-ATOM AND PROTON-TRANSFER REACTIONS - SYMMETRIC CASE
BABAMOV, VK
MARCUS, RA
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (03) : 1790 - 1798
[2] Baker G. A., 1975, ESSENTIALS PADE APPR
[3] A MONTE-CARLO APPROACH FOR THE REAL-TIME DYNAMICS OF TUNNELING SYSTEMS IN CONDENSED PHASES
BEHRMAN, EC
JONGEWARD, GA
WOLYNES, PG
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (12) : 6277 - 6281
[4] QUANTUM TUNNELLING IN A DISSIPATIVE SYSTEM
CALDEIRA, AO
LEGGETT, AJ
[J]. ANNALS OF PHYSICS, 1983, 149 (02) : 374 - 456
[5] REACTION SURFACE HAMILTONIAN FOR THE DYNAMICS OF REACTIONS IN POLYATOMIC SYSTEMS
CARRINGTON, T
MILLER, WH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (09) : 3942 - 3950
[6] STATISTICAL-MECHANICS OF ISOMERIZATION DYNAMICS IN LIQUIDS AND TRANSITION-STATE APPROXIMATION
CHANDLER, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (06) : 2959 - 2970
[7] MONTE-CARLO FOURIER PATH INTEGRAL METHODS IN CHEMICAL-DYNAMICS
DOLL, JD
[J]. JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) : 3536 - 3541
[8] FEYNMAN RP, 1965, QUANTUM MECHANICS PA, P273
[9] CORRELATION FUNCTION APPROACH TO RADIATIONLESS TRANSITIONS
FISCHER, S
[J]. JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (08) : 3195 - +
[10] VARIATIONAL TRANSITION-STATE THEORY AND TUNNELING FOR A HEAVY LIGHT HEAVY REACTION USING AN ABINITIO POTENTIAL-ENERGY SURFACE - CL-37+H(D) CL-35-]H(D) CL-37+CL-35
GARRETT, BC
TRUHLAR, DG
WAGNER, AF
DUNNING, TH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (07) : 4400 - 4413

← 1 2 3 4 →