FROZEN CORE APPROXIMATION, A PSEUDOPOTENTIAL METHOD TESTED ON 6 STATES OF NAH

被引：28

作者：

SACHS, ES

HINZE, J

SABELLI, NH

机构：

[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

[2] UNIV ILLINOIS,COMP CTR,CHICAGO,IL 60680

来源：

JOURNAL OF CHEMICAL PHYSICS | 1975年 / 62卷 / 09期

关键词：

D O I：

10.1063/1.430993

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：3393 / 3398

页数：6

共 25 条

[1] SIMULATION OF INFLUENCE OF CORE ELECTRONS BY A PSEUDOPOTENTIAL .2. APPLICATIONS TO SOME MOLECULES WITH 2 AND 3 ATOMS [J].

BINGEL, WA ;

KOCH, RJ ;

KUTZELNIGG, W .

ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE, 1969, 27 (1-4) :323-+

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

CLEMENTI, E .

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

[3] APPROACH TO PARTIALLY PREDETERMINING MOLECULAR ELECTRONIC-STRUCTURE - LI HE INTERACTION POTENTIAL [J].

FINK, WH .

JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (05) :1822-&

[4]

Gombas P., 1967, PSEUDOPOTENTIALE

[5] About the metallic bond. [J].

Gombas, Paul .

ZEITSCHRIFT FUR PHYSIK, 1935, 94 (7-8) :473-488

[6]

Hellmann H, 1936, ACTA PHYSICOCHIM URS, V4, P225

[7] A new approximation method in the problem of many electrons [J].

Hellmann, H .

JOURNAL OF CHEMICAL PHYSICS, 1935, 3 (01) :61-61

[8]

HELLMANN H, 1936, ACTA FIZICOCHIM USSR, V4, P324

[9]

HELLMANN H, 1935, ACTA PHYSICOCHEM, V1, P6

[10]

HINZE J, 1974, ADV CHEM PHYS, V26, P213

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