COMPARISON OF VALENCE-ONLY MODEL POTENTIAL AND ALL-ELECTRON AB-INITIO LCAO-SCF-MO STUDIES OF LI2 AND LIH

被引：5

作者：

SCHWARTZ, ME

机构：

[1] UNIV NOTRE DAME,DEPT CHEM,NOTRE DAME,IN 46556

[2] UNIV NOTRE DAME,RADIAT LAB,NOTRE DAME,IN 46556

来源：

CHEMICAL PHYSICS LETTERS | 1973年 / 21卷 / 02期

关键词：

D O I：

10.1016/0009-2614(73)80143-5

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：314 / 315

页数：2

相关论文

共 4 条

[1]

KRAUSS M, 1967, NBS438 TECH NOT, P61

[2] VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .1. GENERAL DISCUSSION AND APPLICATIONS TO LOWEST S AND P STATES OF LI AND NA [J].

SCHWARTZ, ME ;

SWITALSKI, JD .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4125-+

[3] VALENCE ELECTRON STUDIES WITH GAUSSIAN-BASED MODEL POTENTIALS AND GAUSSIAN BASIS FUNCTIONS .2. DISCUSSION OF ONE-VALENCE-ELECTRON MOLECULAR THEORY AND APPLICATIONS TO LI2+, NA2+, AND LIH+ [J].

SCHWARTZ, ME ;

SWITALSKI, JD .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (10) :4132-+

[4] GAUSSIAN LOBE FUNCTION EXPANSIONS OF HARTREE-FOCK SOLUTIONS FOR FIRST-ROW ATOMS AND ETHYLENE [J].

WHITTEN, JL .

JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (01) :359-&