GENERAL CRYSTALLINE HARTREE-FOCK FORMALISM - DIAMOND RESULTS

被引：122

作者：

EUWEMA, RN ^{[1
]}

WILHITE, DL ^{[1
]}

SURRATT, GT ^{[1
]}

机构：

[1] USAF,AEROSP RES LABS,WRIGHT P AFB,OH 45433

来源：

PHYSICAL REVIEW B | 1973年 / 7卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.7.818

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

页码：818 / 831

页数：14

共 72 条

[51] GAUSSIAN LOBE FUNCTION EXPANSIONS OF HARTREE-FOCK SOLUTIONS FOR SECOND-ROW ATOMS
PETKE, JD
WHITTEN, JL
DOUGLAS, AW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01) : 256 - &
[52] AB INITIO STUDIES OF ORBITAL HYBRIDIZATION IN POLYATOMIC MOLECULES
PETKE, JD
WHITTEN, JL
[J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (08) : 3166 - &
[53] PRUESS H, 1956, Z NATURFORSCH, V11, P823
[54] COMPARISON OF THEORETICAL AND EXPERIMENTAL CHARGE DENSITIES FOR C, SI, GE, AND ZNSE
RACCAH, PM
EUWEMA, RN
STUKEL, DJ
COLLINS, TC
[J]. PHYSICAL REVIEW B-SOLID STATE, 1970, 1 (02): : 756 - &
[55] OPTICAL STUDY OF ELECTRONIC STRUCTURE OF DIAMOND
ROBERTS, RA
WALKER, WC
[J]. PHYSICAL REVIEW, 1967, 161 (03): : 730 - &
[56] SELF-CONSISTENT FIELD THEORY FOR OPEN SHELLS OF ELECTRONIC SYSTEMS
ROOTHAAN, CCJ
[J]. REVIEWS OF MODERN PHYSICS, 1960, 32 (02) : 179 - 185
[57] PRESSURE CALCULATIONS AND VIRIAL THEOREM FOR MODIFIED HARGREE-FOCK SOLIDS AND ATOMS
ROSS, M
[J]. PHYSICAL REVIEW, 1969, 179 (03): : 612 - &
[58] SCOFIELD DF, 1971, INT J QUANTUM CHEM, V5, P489
[59] SEITZ F, 1940, MODERN THEORY SOLIDS, P61
[60] SINANOGLU O, SIGMA MOLECULAR ORBI