SELF-CONSISTENT LOCALIZED ORBITALS IN POLYATOMIC SYSTEMS

被引:5
作者
KAMBARA, T [1 ]
机构
[1] UNIV ELECTROCOMMUN CHOFU,DEPT ENGN PHYS,CHOFU 182,TOKYO,JAPAN
关键词
D O I
10.1143/JPSJ.39.187
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
引用
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页码:187 / 194
页数:8
相关论文
共 16 条
[2]   ORBITAL THEORIES OF ELECTRONIC STRUCTURE [J].
ADAMS, WH .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (09) :2009-&
[3]   LOCALIZED ORBITALS FOR MOLECULAR QUANTUM THEORY .I. HUCKEL THEORY [J].
ANDERSON, PW .
PHYSICAL REVIEW, 1969, 181 (01) :25-&
[4]   98SELF-CONSISTENT PSEUDOPOTENTIALS AND ULTRALOCALIZED FUNCTIONS FOR ENERGY BANDS [J].
ANDERSON, PW .
PHYSICAL REVIEW LETTERS, 1968, 21 (01) :13-&
[5]  
ANDERSON PW, 1973, COMPUTATIONAL METHOD
[6]   GENERAL THEORY OF PSEUDOPOTENTIALS [J].
AUSTIN, BJ ;
SHAM, LJ ;
HEINE, V .
PHYSICAL REVIEW, 1962, 127 (01) :276-&
[7]   CANCELLATION OF KINETIC AND POTENTIAL ENERGY IN ATOMS, MOLECULES, AND SOLIDS [J].
COHEN, MH ;
HEINE, V .
PHYSICAL REVIEW, 1961, 122 (06) :1821-&
[8]  
GILBERT TL, 1969, SIGMA MOLECULAR ORBI, P249
[9]  
GILBERT TL, 1964, MOL ORBITALS CHEM PH, P405
[10]   APPROXIMATION TO METHOD OF LOCAL ORBITALS [J].
KUNZ, AB .
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1973, 6 (04) :L47-L50