SPIN-COUPLED VALENCE BOND STUDY OF LOW-LYING STATES OF LIHE

被引:10
作者
COOPER, DL
GERRATT, J
RAIMONDI, M
机构
[1] UNIV OXFORD,DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND
[2] UNIV BRISTOL,SCH CHEM,BRISTOL BS8 1TS,AVON,ENGLAND
[3] UNIV MILAN,DEPT PHYS CHEM & ELECTROCHEM,I-20133 MILAN,ITALY
关键词
D O I
10.1080/00268978500102551
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:611 / 620
页数:10
相关论文
共 22 条
[1]   INFRARED PREDISSOCIATION SPECTRUM OF THE H-3+ ION [J].
CARRINGTON, A ;
KENNEDY, RA .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (01) :91-112
[2]  
Cooper D.L., 1984, FARADAY S CHEM SOC, V19, P149
[3]   MCSCF STUDY OF THE SPIN ORBIT COUPLING IN OH (CHI-2PI-I) [J].
COOPER, DL .
MOLECULAR PHYSICS, 1985, 54 (02) :439-443
[4]   THE DIPOLE-MOMENT OF LIH(X-1-SIGMA+) - SPIN-COUPLED VALENCE-BOND STUDY [J].
COOPER, DL ;
GERRATT, J ;
RAIMONDI, M .
CHEMICAL PHYSICS LETTERS, 1985, 118 (06) :580-584
[5]   ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS [J].
COOPER, DL ;
WILSON, S .
JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6088-6090
[6]   UNIVERSAL SYSTEMATIC SEQUENCES OF EVEN-TEMPERED BASIS FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES OF NEGATIVE-IONS [J].
COOPER, DL ;
WILSON, S .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (09) :4551-4554
[7]   UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE FUNCTIONS IN ELECTRONIC-STRUCTURE STUDIES [J].
COOPER, DL ;
WILSON, S .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (10) :5053-5057
[8]   THE USE OF UNIVERSAL EVEN-TEMPERED BASIS-SETS IN SPIN-COUPLED WAVEFUNCTIONS - THE ELECTRON-AFFINITY OF LI(S-2) [J].
COOPER, DL ;
GERRATT, J .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1983, 16 (20) :3703-3712
[9]   ABINITIO CALCULATION OF ATOMIC SPIN ORBIT COUPLING-CONSTANTS USING A UNIVERSAL SYSTEMATIC SEQUENCE OF EVEN-TEMPERED EXPONENTIAL-TYPE BASIS-SETS [J].
COOPER, DL ;
WILSON, S .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (04) :493-501
[10]  
COOPER DL, 1983, J CHEM PHYS, V86, P2456