ABINITIO CALCULATION OF MOLECULAR SPIN-ORBIT-COUPLING CONSTANTS USING A UNIVERSAL EVEN-TEMPERED BASIS SET OF EXPONENTIAL FUNCTIONS

被引：18

作者：

COOPER, DL ^{[1
]}

WILSON, S ^{[1
]}

机构：

[1] DEPT THEORET CHEM,OXFORD OX1 3TG,ENGLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1982年 / 76卷 / 12期

关键词：

D O I：

10.1063/1.442964

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

页码：6088 / 6090

页数：3

共 22 条

[1]

BAGUS PS, 1969, P SEMINAR SELECTED T

[2]

CADE PE, 1967, J CHEM PHYS, V47, P617

[3] CORRECTION [J].

COOPER, DL .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1982, 15 (03) :491-491

[4] SPIN SPLITTING BH+ [J].

COOPER, DL ;

RICHARDS, WG .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1981, 14 (04) :L127-L130

[5] 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

[6] SPIN ORBIT COUPLING AND SPIN SPLITTING IN HENE+ [J].

COOPER, DL .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6443-6444

[7]

COOPER DL, UNPUB J CHEM PHYS

[8]

COOPER DL, 1980, J CHEM PHYS, V73, P3515

[9] SYSTEMATIC-APPROACH TO EXTENDED EVEN-TEMPERED ORBITAL BASES FOR ATOMIC AND MOLECULAR CALCULATIONS [J].

FELLER, DF ;

RUEDENBERG, K .

THEORETICA CHIMICA ACTA, 1979, 52 (03) :231-251

[10]

GUEST MF, 1981, SUPERCOMPUTERS CHEM

← 1 2 3 →