DIRECT DETERMINATION OF LOCALIZED SCF ORBITALS

被引：50

作者：

DAUDEY, JP ^{[1
]}

机构：

[1] INST BIOL PHYS CHIM,CNRS,LAB BIOCHIM THEORIQUE,PARIS 5,FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1974年 / 24卷 / 04期

关键词：

D O I：

10.1016/0009-2614(74)80185-5

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：574 / 578

页数：5

共 50 条

[1] METHOD FOR DIRECT DETERMINATION OF LOCALIZED ORBITALS
LEVY, M
NEE, TS
PARR, RG
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01): : 316 - 318
[2] Direct determination of fragment localized molecular orbitals and the orthogonality constraint
Szekeres, Z
Surján, PR
CHEMICAL PHYSICS LETTERS, 2003, 369 (1-2) : 125 - 130
[3] LOCALIZED SCF MOLECULAR ORBITALS - STUDY OF INVERSION BARRIERS
LEVY, B
MILLIE, P
LEHN, JM
MUNSCH, B
THEORETICA CHIMICA ACTA, 1970, 18 (02): : 143 - &
[4] COMPUTATION OF SCF MOLECUALR ORBITAL WAVEFUNCTION IN TERMS OF LOCALIZED ORBITALS
PETERS, D
JOURNAL OF CHEMICAL PHYSICS, 1967, 46 (11): : 4427 - &
[5] CONSTRUCTION OF LOCALIZED ORBITALS FOR CALCULATIONS USING METHODS OF MULTICONFIGURATIONAL THEORY OF SCF
MURAVJOVA, NN
PANIN, AI
BARANOVSKY, VI
VESTNIK LENINGRADSKOGO UNIVERSITETA SERIYA FIZIKA KHIMIYA, 1977, (02): : 85 - 89
[6] DETERMINATION OF SYMMETRY OF LOCALIZED ORBITALS IN SOLIDS
ZAK, J
PHYSICAL REVIEW LETTERS, 1981, 47 (06) : 450 - 453
[7] DIRECT DETERMINATION OF PSEUDONATURAL ORBITALS
PALTING, P
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1973, 7 (04) : 717 - 723
[8] AB-INITIO SCF PROCEDURE WITH LOCALIZED MOLECULAR-ORBITALS OF FRAGMENTS
KOLLER, J
AZMAN, A
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 1975, 30 (11): : 1499 - 1499
[9] DELOCALIZATION CORRECTIONS TO THE STRICTLY LOCALIZED MOLECULAR-ORBITALS - A LINEARIZED SCF APPROXIMATION
SURJAN, PR
MAYER, I
THEORETICA CHIMICA ACTA, 1981, 59 (06): : 603 - 607
[10] SEMIEMPIRICAL METHOD FOR DETERMINATION OF LOCALIZED ORBITALS IN MOLECULES
TRINDLE, C
SINANOGLU, O
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (01): : 65 - +

← 1 2 3 4 5 →