ELECTRONIC-STRUCTURE OF 2SIGMA+ BORON MONOSULFIDE - COMPARISON OF GTO AND STO BASIS SETS IN NEAR HARTREE-FOCK CALCULATIONS OF ENERGY, DIPOLE-MOMENT, AND ISOTROPIC HYPERFINE COUPLING-CONSTANTS

被引：7

作者：

BALL, JR ^{[1
]}

THOMSON, C ^{[1
]}

机构：

[1] UNIV ST ANDREWS,DEPT CHEM,ST ANDREWS KY16 9ST,SCOTLAND

来源：

关键词：

D O I：

10.1016/0009-2614(75)85673-9

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：6 / 10

页数：5

共 19 条

[1]

BALL JA, TO BE PUBLISHED

[2] ESR OF BS MOLECULE IN INERT MATRICES AT 4 DEGREES [J].

BROM, JM ;

WELTNER, W .

[3]

CLEMENTI E, 1971, RJ883 IBM TECH REPT

[4]

CLEMENTI E, 1971, RJ853 IBM TECH REPT

[5]

CLEMENTI E, 1971, RJ889 IBM TECH REPT

DUNNING, TH .

[7]

HUZINAGA S, 1971, TABLES ATOMIC FUNCTI

[8]

MCDONALD JK, 1969, J MOL SPECTRY, V29, P551

[9]

MCLEAN AD, 1971, 1970 P C POT EN SURF

[10]

MCLEAN AD, 1968, IBM J RES DEV S, V12, P1