MOLECULAR-BASIS SET GENERATION - ACCURATE SLATER BASIS-SETS FOR LIH- GROUND AND EXCITED-STATE AND LI-2-GROUND STATE

被引：40

作者：

ADAMOWICZ, L

MCCULLOUGH, EA

机构：

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1983年 / 24卷 / 01期

关键词：

D O I：

10.1002/qua.560240103

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

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页码：19 / 23

页数：5

相关论文

共 6 条

[1] BASIS SET GENERATION FOR THE SCF CALCULATION [J].

ADAMOWICZ, L .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (04) :545-551

[2]

ADAMOWICZ L, UNPUB

[3] 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-&

[4] THEORETICAL-STUDY OF STABLE NEGATIVE-IONS OF POLAR-MOLECULES - NAH-, LIH-, LIF-, BEO [J].

JORDAN, KD ;

GRIFFING, KM ;

KENNEY, J ;

ANDERSEN, EL ;

SIMONS, J .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (11) :4730-4740

[5] NUMERICAL-SOLUTION OF THE RESTRICTED AND MULTICONFIGURATION HARTREE-FOCK EQUATIONS FOR DIATOMIC-MOLECULES [J].

MCCULLOUGH, EA .

JOURNAL OF PHYSICAL CHEMISTRY, 1982, 86 (12) :2178-2182

[6] NUMERICAL HARTREE-FOCK CALCULATIONS ON THE 1ST EXCITED-STATE OF LIH- [J].

MCCULLOUGH, EA .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (03) :1579-1580