VIRTUAL ORBITAL TRANSFORMATION PRIOR TO CONFIGURATION INTERACTION WITH LOCALIZED ORBITALS

被引:5
作者
COFFEY, P [1 ]
机构
[1] ST LOUIS UNIV,DEPT CHEM,ST LOUIS,MO 63156
关键词
D O I
10.1002/qua.560080512
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
收藏
页码:777 / 782
页数:6
相关论文
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[2]  
BOYS SF, 1966, QUANTUM THEORY ATOMS, P253
[3]   THE SPECTRUM AND STRUCTURE OF THE HNO MOLECULE [J].
DALBY, FW .
CANADIAN JOURNAL OF PHYSICS, 1958, 36 (10) :1336-&
[4]   LOCALIZED BOND ORBITALS AND CORRELATION PROBLEM .I. PERTURBATION CALCULATION OF GROUND STATE ENERGY [J].
DINER, S ;
MALRIEU, JP ;
CLAVERIE, P .
THEORETICA CHIMICA ACTA, 1969, 13 (01) :1-&
[5]   LOCALIZED ATOMIC AND MOLECULAR ORBITALS [J].
EDMISTON, C ;
RUEDENBERG, K .
REVIEWS OF MODERN PHYSICS, 1963, 35 (03) :457-&
[6]   CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].
FOSTER, JM ;
BOYS, SF .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302
[7]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .2. CALCULATIONS WITH COMPLETE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (10) :S136-+
[8]   APPROXIMATE SELF-CONSISTENT MOLECULAR-ORBITAL THEORY .5. INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP [J].
POPLE, JA ;
BEVERIDGE, DL ;
DOBOSH, PA .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (06) :2026-+
[9]   APPROXIMATE SELF-CONSISTENT MOLECULAR ORBITAL THEORY .3. CNDO RESULTS FOR AB2 AND AB3 SYSTEMS [J].
POPLE, JA ;
SEGAL, GA .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3289-&
[10]   SUPERPOSITION OF CONFIGURATIONS AND NATURAL SPIN ORBITALS - APPLICATIONS TO THE HE PROBLEM [J].
SHULL, H ;
LOWDIN, PO .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (03) :617-626