CONSTRUCTING APPROXIMATELY DIABATIC STATES FROM LCAO-SCF-CL CALCULATIONS

被引:30
作者
DESOUTERLECOMTE, M
DEHARENG, D
LORQUET, JC
机构
关键词
D O I
10.1063/1.452231
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:1429 / 1436
页数:8
相关论文
共 39 条
[1]   ADIABATIC AND DIABATIC REPRESENTATIONS FOR ATOM-MOLECULE COLLISIONS - TREATMENT OF COLLINEAR ARRANGEMENT [J].
BAER, M .
CHEMICAL PHYSICS LETTERS, 1975, 35 (01) :112-118
[2]   ADIABATIC AND DIABATIC REPRESENTATIONS FOR ATOM-DIATOM COLLISIONS - TREATMENT OF 3-DIMENSIONAL CASE [J].
BAER, M .
CHEMICAL PHYSICS, 1976, 15 (01) :49-57
[3]   ELECTRON CAPTURE IN SLOW COLLISIONS [J].
BATES, DR ;
MCCARROLL, R .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1958, 245 (1241) :175-183
[4]  
BERSUKER IB, 1984, JAHNTELLER EFFECT VI
[5]   GEOMETRY OF INTERSECTING POTENTIAL SURFACES [J].
CARRINGTON, T .
ACCOUNTS OF CHEMICAL RESEARCH, 1974, 7 (01) :20-25
[6]  
COHENTANNOUDJI C, 1973, MECANIQUE QUANTIQUE, V1, P418
[7]   BRILLOUINS THEOREM AND HELLMANN-FEYNMAN THEOREM FOR HARTREE-FOCK WAVE FUNCTIONS [J].
COULSON, CA .
MOLECULAR PHYSICS, 1971, 20 (04) :687-&
[8]   DYNAMICAL STUDY OF NON-ADIABATIC UNIMOLECULAR REACTIONS - THE CONICAL INTERSECTION BETWEEN THE B2B2 AND A2A1 STATES OF H2O+ [J].
DEHARENG, D ;
CHAPUISAT, X ;
LORQUET, JC ;
GALLOY, C ;
RASEEV, G .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (03) :1246-1264
[9]   DIABATIC AND ADIABATIC REPRESENTATIONS FOR ATOMIC COLLISION PROCESSES [J].
DELOS, JB ;
THORSON, WR .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (04) :1774-1790
[10]   STUDIES OF POTENTIAL-CURVE-CROSSING PROBLEM .2. GENERAL THEORY AND A MODEL FOR CLOSE CROSSINGS [J].
DELOS, JB ;
THORSON, WR .
PHYSICAL REVIEW A, 1972, 6 (02) :728-&