THEORETICAL STUDY OF CURVE CROSSING - AB-INITIO CALCULATIONS ON 4 LOWEST 1SIGMA+ STATES OF LIF

被引:117
作者
KAHN, LR
HAY, PJ
机构
[1] BATTELLE MEM INST,COLUMBUS,OH 43201
[2] OHIO STATE UNIV,DEPT CHEM,COLUMBUS,OH 43210
关键词
D O I
10.1063/1.1682533
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:3530 / 3546
页数:17
相关论文
共 54 条
[1]   MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2- [J].
BALINTKURTI, GG ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :478-+
[2]   ABSORPTION SPECTRUM OF GASEOUS F- AND ELECTRON AFFINITIES OF HALOGEN ATOMS [J].
BERRY, RS ;
REIMANN, CW .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (07) :1540-&
[3]   INTERACTION OF VIBRATIONAL AND ELECTRONIC MOTION IN ALKALI HALIDE MOLECULES [J].
BERRY, RS .
JOURNAL OF CHEMICAL PHYSICS, 1957, 27 (06) :1288-1295
[4]   PERTURBATION-THEORY AND IONIC MODELS FOR ALKALI-HALIDE SYSTEMS .1. DIATOMICS [J].
BRUMER, P ;
KARPLUS, M .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (09) :3903-3918
[5]   COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (04) :1368-+
[6]   THERMAL ENERGY SCATTERING OF ALKALI ATOMS FROM HALOGEN ATOMS AND MOLECULES - EFFECT OF CURVE CROSSING [J].
CHILD, MS .
MOLECULAR PHYSICS, 1969, 16 (04) :313-&
[7]  
CLEMENTI E, 1964, PHYS REV A, V133, P419
[8]   ATOMIC POLARIZABILITIES AND SHIELDING FACTORS [J].
DALGARNO, A .
ADVANCES IN PHYSICS, 1962, 11 (44) :281-315
[9]   MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) THEORY FOR EXCITED-STATES [J].
DAS, G .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (11) :5104-5110
[10]   LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4928-&