学术探索
学术期刊
新闻热点
数据分析
智能评审

GENERAL QUADRATICALLY CONVERGENT MULTICONFIGURATION SELF-CONSISTENT-FIELD THEORY IN TERMS OF REDUCED MATRIX-ELEMENTS

被引：14
作者：
ROOTHAAN, CCJ
DETRICH, JH
机构：
[1] UNIV CHICAGO,DEPT MED,CHICAGO,IL 60637
[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,NATL RESOURCE COMP CHEM,BERKELEY,CA 94720
[3] SCI APPLICAT INC,OAK BROOK,IL 60521
来源：
PHYSICAL REVIEW A | 1983年 / 27卷 / 01期
关键词：
D O I：
10.1103/PhysRevA.27.29
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
引用
收藏
页码：29 / 56
页数：28
相关论文
共 63 条
[1]  
[Anonymous], 1962, IRREDUCIBLE TENSOR M
[2]   MULTICONFIGURATION WAVEFUNCTIONS FOR EXCITED-STATES - SELECTION OF OPTIMAL CONFIGURATIONS - B1SIGMA+ AND D1SIGMA+ STATES OF NH [J].
BANERJEE, A ;
GREIN, F .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (03) :1054-1062
[3]   CONVERGENCE BEHAVIOR OF SOME MULTICONFIGURATION METHODS [J].
BANERJEE, A ;
GREIN, F .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1976, 10 (01) :123-134
[4]   COUPLING COEFFICIENTS AND TENSOR OPERATORS FOR CHAINS OF GROUPS [J].
BUTLER, PH .
PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 1975, 277 (1272) :545-585
[5]   GENERALIZED BRILLOUIN THEOREM MULTICONFIGURATION METHOD FOR EXCITED-STATES [J].
CHANG, TC ;
SCHWARZ, WHE .
THEORETICA CHIMICA ACTA, 1977, 44 (01) :45-59
[6]   CORRELATION ENERGY IN ATOMIC SYSTEMS .4. DEGENERACY EFFECTS [J].
CLEMENTI, E ;
VEILLARD, A .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (08) :3050-&
[7]   OPTIMIZATION OF ORBITALS FOR MULTICONFIGURATIONAL REFERENCE STATES [J].
DALGAARD, E ;
JORGENSEN, P .
JOURNAL OF CHEMICAL PHYSICS, 1978, 69 (08) :3833-3844
[8]   QUADRATICALLY CONVERGENT REFERENCE STATE OPTIMIZATION PROCEDURE [J].
DALGAARD, E .
CHEMICAL PHYSICS LETTERS, 1979, 65 (03) :559-563
[9]   NEW TECHNIQUES FOR COMPUTATION OF MULTICONFIGURATION SELF-CONSISTENT FIELD (MCSCF) WAVEFUNCTIONS [J].
DAS, G ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (04) :1769-&
[10]   GROUND AND EXCITED-STATES OF DIATOMS CN AND AIO [J].
DAS, G ;
JANIS, T ;
WAHL, AC .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (04) :1274-1279
1234567