SIMPLIFIED HARTREE-FOCK METHOD FOR CALCULATING GROUND-STATE PROPERTIES AND ENERGY-BAND STRUCTURES

被引:24
作者
KUNZ, AB [1 ]
机构
[1] UNIV ILLINOIS,DEPT PHYS & MAT RES LAB,URBANA,IL 61801
来源
PHYSICAL REVIEW B | 1973年 / 8卷 / 04期
关键词
D O I
10.1103/PhysRevB.8.1690
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:1690 / 1698
页数:9
相关论文
共 35 条
[2]   DISTORTION OF INTERACTING ATOMS AND IONS [J].
ADAMS, WH .
CHEMICAL PHYSICS LETTERS, 1971, 12 (02) :295-&
[3]   ORBITAL THEORIES OF ELECTRONIC STRUCTURE [J].
ADAMS, WH .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (09) :2009-&
[4]   LEAST DISTORTED LOCALIZED ORBITAL SELF-CONSISTENT FIELD EQUATIONS [J].
ADAMS, WH .
CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) :71-&
[5]   SOLUTION OF HARTREE-FOCK EQUATION IN TERMS OF OCALIZED ORBITALS [J].
ADAMS, WH .
JOURNAL OF CHEMICAL PHYSICS, 1961, 34 (01) :89-&
[6]   LOCALIZED ORBITALS FOR MOLECULAR QUANTUM THEORY .I. HUCKEL THEORY [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1969, 181 (01) :25-&
[7]   98SELF-CONSISTENT PSEUDOPOTENTIALS AND ULTRALOCALIZED FUNCTIONS FOR ENERGY BANDS [J].
ANDERSON, PW .
PHYSICAL REVIEW LETTERS, 1968, 21 (01) :13-&
[8]   HARTREE-FOCK BAND-STRUCTURE AND OPTICAL GAP IN SOLID NEON AND ARGON [J].
DAGENS, L ;
PERROT, F .
PHYSICAL REVIEW B, 1972, 5 (02) :641-&
[9]   GENERAL CRYSTALLINE HARTREE-FOCK FORMALISM - DIAMOND RESULTS [J].
EUWEMA, RN ;
WILHITE, DL ;
SURRATT, GT .
PHYSICAL REVIEW B, 1973, 7 (02) :818-831
[10]  
GILBERT TL, 1964, MOLECULAR ORBITALS C