QUANTUM CHEMISTRY

被引：238

作者：

JOHNSON, KH ^{[1
]}

机构：

[1] MIT,DEPT MAT SCI & ENGN,CAMBRIDGE,MA 02139

来源：

ANNUAL REVIEW OF PHYSICAL CHEMISTRY | 1975年 / 26卷

关键词：

D O I：

10.1146/annurev.pc.26.100175.000351

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：39 / 57

页数：19

共 102 条

[71] SCF XALPHA SCATTERED-WAVE CALCULATION FOR FERROCENE [J].

ROSCH, N ;

JOHNSON, KH .

CHEMICAL PHYSICS LETTERS, 1974, 24 (02) :179-184

[72] BONDING OF ETHYLENE TO DIATOMIC NICKEL ACCORDING TO A SELF-CONSISTENT-FIELD, XALPHA, SCATTERED-WAVE MODEL [J].

ROSCH, N ;

RHODIN, TN .

PHYSICAL REVIEW LETTERS, 1974, 32 (21) :1189-1192

[73] USE OF OVERLAPPING SPHERES IN SCF-CHI-ALPHA SCATTERED-WAVE METHOD [J].

ROSCH, N ;

KLEMPERE.WG ;

JOHNSON, KH .

CHEMICAL PHYSICS LETTERS, 1973, 23 (02) :149-154

[74] INTERACTION POTENTIALS FOR UF6 WITH ITSELF AND WITH RARE-GAS ATOMS [J].

SCHNEIDER, B ;

BORING, AM ;

COHEN, JS .

CHEMICAL PHYSICS LETTERS, 1974, 27 (04) :577-579

[75] EFFECTS OF EXCHANGE PARAMETERS ON BINDING-ENERGY IN SCF X-ALPHA SCATTERED WAVE METHOD [J].

SCHWARZ, K ;

WEINBERGER, P .

CHEMICAL PHYSICS LETTERS, 1974, 27 (03) :415-418

[76] OPTIMIZATION OF STATISTICAL EXCHANGE PARAMETER-ALPHA FOR FREE ATOMS H THROUGH NB [J].

SCHWARZ, K .

PHYSICAL REVIEW B-SOLID STATE, 1972, 5 (07) :2466-&

[77] MULTIPLE-SCATTERING X ALPHA STUDY OF SILANE AND GERMANE [J].

SINK, ML ;

JURAS, GE .

CHEMICAL PHYSICS LETTERS, 1973, 20 (05) :474-478

[78] SUGGESTIONS FROM SOLID-STATE THEORY REGARDING MOLECULAR CALCULATIONS [J].

SLATER, JC .

JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S228-+

[79] A SIMPLIFICATION OF THE HARTREE-FOCK METHOD [J].

SLATER, JC .

PHYSICAL REVIEW, 1951, 81 (03) :385-390

[80] SELF-CONSISTENT-FIELD CHI ALPHA CLUSTER METHOD FOR POLYATOMIC-MOLECULES AND SOLIDS [J].

SLATER, JC ;

JOHNSON, KH .

PHYSICAL REVIEW B, 1972, 5 (03) :844-&

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