A TIME-DEPENDENT METHOD FOR COMPUTING THERMAL RATE CONSTANTS

被引:39
作者
WAHNSTROM, G
METIU, H
机构
关键词
D O I
10.1016/0009-2614(87)87187-7
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:531 / 535
页数:5
相关论文
共 33 条
[11]  
HEATHER R, UNPUB J CHEM PHYS
[12]   TIME-DEPENDENT APPROACH TO SEMICLASSICAL DYNAMICS [J].
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (04) :1544-1555
[13]   A FAST FOURIER-TRANSFORM METHOD FOR CALCULATING THE EQUILIBRIUM DENSITY-MATRIX [J].
HELLSING, B ;
NITZAN, A ;
METIU, H .
CHEMICAL PHYSICS LETTERS, 1986, 123 (06) :523-527
[14]   AN EFFICIENT METHOD FOR SOLVING THE QUANTUM LIOUVILLE EQUATION - APPLICATIONS TO ELECTRONIC ABSORPTION-SPECTROSCOPY [J].
HELLSING, B ;
METIU, H .
CHEMICAL PHYSICS LETTERS, 1986, 127 (01) :45-49
[15]  
JACKSON B, UNPUB J CHEM PHYS
[16]   QUANTUM-MECHANICAL RATE CONSTANTS VIA PATH-INTEGRALS - DIFFUSION OF HYDROGEN-ATOMS ON A W(100) SURFACE [J].
JAQUET, R ;
MILLER, WH .
JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (11) :2139-2144
[17]  
Johnston H. S., 1966, GAS PHASE REACTION R, P40
[18]   LARGE TUNNELLING CORRECTIONS IN CHEMICAL REACTION RATES .2. [J].
JOHNSTON, HS ;
RAPP, D .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (01) :1-&
[19]   TUNNELLING CORRECTIONS FOR UNSYMMETRICAL ECKART POTENTIAL ENERGY BARRIERS [J].
JOHNSTON, HS ;
HEICKLEN, J .
JOURNAL OF PHYSICAL CHEMISTRY, 1962, 66 (03) :532-&
[20]   A FOURIER METHOD SOLUTION FOR THE TIME-DEPENDENT SCHRODINGER-EQUATION AS A TOOL IN MOLECULAR-DYNAMICS [J].
KOSLOFF, D ;
KOSLOFF, R .
JOURNAL OF COMPUTATIONAL PHYSICS, 1983, 52 (01) :35-53