ELECTROMAGNETIC PROPERTIES OF BH (SIGMA-1+) USING CASSCF WAVEFUNCTIONS

被引：29

作者：

DABORN, GT

HANDY, NC

机构：

来源：

MOLECULAR PHYSICS | 1983年 / 49卷 / 06期

关键词：

D O I：

10.1080/00268978300101931

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：1277 / 1288

页数：12

共 29 条

[1] ELECTRONIC STRUCTURE OF DIATOMIC MOLECULES .6A. HARTREE-FOCK WAVEFUNCTIONS AND ENERGY QUANTITIES FOR GROUND STATES OF FIRST-ROW HYDRIDES AH [J].

CADE, PE ;

HUO, WM .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (02) :614-&

[2]

CARBO R, 1978, LECTURE NOTES CHEM, V5

[3] AB INITIO COMPUTATIONS IN ATOMS AND MOLECULES [J].

CLEMENTI, E .

IBM JOURNAL OF RESEARCH AND DEVELOPMENT, 1965, 9 (01) :2-&

[4] MAGNETIC-SUSCEPTIBILITY OF BH [J].

CORCORAN, CT ;

HIRSCHFELDER, JO .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (03) :1524-1528

[5] THE CALCULATION OF 2ND-ORDER MOLECULAR-PROPERTIES AT THE CI LEVEL OF ACCURACY - THE MAGNETIZABILITY OF LIH [J].

DABORN, GT ;

HANDY, NC .

CHEMICAL PHYSICS LETTERS, 1981, 81 (02) :201-208

[6] THE CALCULATION OF 2ND-ORDER MOLECULAR-PROPERTIES AT THE CONFIGURATION-INTERACTION LEVEL OF ACCURACY [J].

DABORN, GT ;

FERGUSON, WI ;

HANDY, NC .

CHEMICAL PHYSICS, 1980, 50 (02) :255-263

[7]

DAVIES DW, 1967, THEORY ELECTRIC MAGN

[8]

DUPUIS M, 1981, J CHEM PHYS, V74, P5753

[9] MAGNETIC PROPERTIES OF BF AND BH MOLECULES [J].

HEGSTROM, RA ;

LIPSCOMB, WN .

JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (02) :809-&

[10] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHOD [J].

HINZE, J .

JOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12) :6424-6432

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