THE DIRECT CONFIGURATION INTERACTION METHOD FOR GENERAL MULTI-REFERENCE EXPANSIONS - SYMMETRIC GROUP-APPROACH

被引：7

作者：

DUCH, W

机构：

来源：

THEORETICA CHIMICA ACTA | 1980年 / 57卷 / 04期

关键词：

D O I：

10.1007/BF00552742

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：299 / 313

页数：15

共 61 条

[11] COUPLING-CONSTANTS IN THE DIRECT CONFIGURATION INTERACTION METHOD [J].

DUCH, W ;

KARWOWSKI, J .

THEORETICA CHIMICA ACTA, 1979, 51 (03) :175-188

[12]

DUCH W, UNPUBLISHED

[13] EFFICIENT CL CALCULATIONS UTILIZING SYMMETRIC GROUP [J].

GALLUP, GA ;

NORBECK, JM .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (05) :2179-2185

[14] SPIN RECOUPLING AND N-ELECTRON MATRIX-ELEMENTS [J].

GOUYET, JF ;

SCHRANNER, R ;

SELIGMAN, TH .

JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1975, 8 (03) :285-298

[15] GENERALIZATION OF THE DIRECT CONFIGURATION INTERACTION METHOD TO THE HARTREE-FOCK INTERACTING SPACE FOR DOUBLETS, QUARTETS, AND OPEN-SHELL SINGLETS - APPLICATIONS TO NO2 AND NO2- [J].

HANDY, NC ;

GODDARD, JD ;

SCHAEFER, HF .

JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (01) :426-435

[16] ABINITIO STUDIES ON SINGLET-TRIPLET SPLITTING OF METHYLENE (CH2) [J].

HARDING, LB ;

GODDARD, WA .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (04) :1777-1779

[17]

Harris F. E, 1967, ADV QUANTUM CHEM, V3, P61

[18] NEW TECHNIQUE FOR DESCRIBING ELECTRONIC STATES OF ATOMS AND MOLECULES - VECTOR METHOD [J].

HAUSMAN, RF ;

BLOOM, SD ;

BENDER, CF .

CHEMICAL PHYSICS LETTERS, 1975, 32 (03) :483-488

[19]

HAUSMAN RF, 1977, METHODS ELECTRONIC S, P319

[20] MULTICONFIGURATIONAL SCF AND CI CALCULATIONS ON OPEN AND CLOSED FORMS OF OZONE MOLECULE [J].

KARLSTROM, G ;

ENGSTROM, S ;

JONSSON, B .

CHEMICAL PHYSICS LETTERS, 1978, 57 (03) :390-394

← 1 2 3 4 5 6 7 →