STUDY OF AMO METHOD AS APPLIED TO LITHIUM METAL .1. REVIEW, RESULTS, AND DISCUSSION

被引：51

作者：

CALAIS, JL ^{[1
]}

SPERBER, G ^{[1
]}

机构：

[1] UNIV UPPSALA,QUANTUM CHEM GRP,S-751 20 UPPSALA,SWEDEN

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1973年 / 7卷 / 03期

关键词：

D O I：

10.1002/qua.560070307

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：501 / 520

页数：20

共 57 条

[41] RELATIONSHIP BETWEEN UNRESTRICTED AND EXTENDED HARTREE-FOCK WAVE FUNCTIONS AS FUNCTION OF NUMBER OF ELECTRONS [J].

MARTINO, F ;

LADIK, J .

PHYSICAL REVIEW A, 1971, 3 (03) :862-&

[42] NEW APPROACH TO ENERGY-BAND CALCULATIONS WITH RESULTS FOR LITHIUM METAL [J].

OKEEFE, PM ;

GODDARD, WA .

PHYSICAL REVIEW LETTERS, 1969, 23 (06) :300-+

[43] A RESONATING-VALENCE-BOND THEORY OF METALS AND INTERMETALLIC COMPOUNDS [J].

PAULING, L .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1949, 196 (1046) :343-362

[44] STUDIES ON ALTERNANT MOLECULAR ORBITAL METHOD .1. GENERAL ENERGY EXPRESSION FOR AN ALTERNANT SYSTEM WITH CLOSED-SHELL STRUCTURE [J].

PAUNCZ, R ;

HEER, JD ;

LOWDIN, PO .

JOURNAL OF CHEMICAL PHYSICS, 1962, 36 (09) :2247-&

[45]

PAUNCZ R, 1967, ALTERNANT MOLECULAR

[46] SIMPLE AMO FUNCTION FOR LITHIUM MOLECULE [J].

RAI, DK ;

CALAIS, JL .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (03) :906-&

[47] CORRELATION ENERGY IN METALS AND THE COHESIVE ENERGY OF METALLIC SODIUM [J].

RAIMES, S .

PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1954, 67 (409) :52-56

[48]

SHUKLA GC, 1972, ACTA PHYS POL A, V41, P683

[49] NOTE ON SUPERLATTICES AND BRILLOUIN ZONES [J].

SLATER, JC .

PHYSICAL REVIEW, 1951, 84 (02) :179-181

[50] Cohesion in monovalent metals [J].

Slater, JC .

PHYSICAL REVIEW, 1930, 35 (05) :0509-0529

← 1 2 3 4 5 6 →