USE OF BIORTHOGONAL SETS IN VALENCE BOND CALCULATIONS

被引：39

作者：

NORBECK, JM ^{[1
]}

MCWEENY, R ^{[1
]}

机构：

[1] UNIV SHEFFIELD, DEPT CHEM, SHEFFIELD S3 7HF, ENGLAND

来源：

CHEMICAL PHYSICS LETTERS | 1975年 / 34卷 / 02期

关键词：

D O I：

10.1016/0009-2614(75)85256-0

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：206 / 210

页数：5

共 23 条

[1] SINGLE DETERMINANT WAVE FUNCTIONS [J].

AMOS, AT ;

HALL, GG .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1961, 263 (1312) :483-+

[2] MULTISTRUCTURE VALENCE-BOND AND ATOMS-IN-MOLECULES CALCULATIONS FOR LIF F2 AND F2- [J].

BALINTKURTI, GG ;

KARPLUS, M .

JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (01) :478-+

[3] APPLICABILITY OF GALERKIN-PETROV METHOD IN QUANTUM CHEMISTRY - QUARTIC OSCILLATOR PROBLEM [J].

BANGUDU, EA ;

JANKOWSKI, K ;

DION, DR .

CHEMICAL PHYSICS LETTERS, 1973, 19 (03) :418-421

[4]

Bender C. F., 1970, Journal of Computational Physics, V6, P146, DOI 10.1016/0021-9991(70)90014-8

[5] STUDIES IN CONFIGURATION INTERACTION .I. MATRIX ELEMENTS BETWEEN SPIN-COUPLED FUNCTIONS [J].

COOPER, IL ;

MCWEENY, R .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) :226-&

[6] CORRECTIONS [J].

COOPER, IL .

JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (09) :3484-&

[7] EXTENSION DUNE FORMULE DE LAGRANGE A DES PROBLEMES DE VALEURS PROPRES [J].

DESCLOIZEAUX, J .

NUCLEAR PHYSICS, 1960, 20 (03) :321-346

[8] VALENCE-BOND CALCULATIONS AND MATRIX-ELEMENTS BETWEEN 2 TABLEAU FUNCTIONS OF NON-ORTHOGONAL ORBITALS [J].

GALLUP, GA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1972, 6 (05) :899-&

[9]

GERRATT J, 1971, ATOMIC MOLECULAR PHY, V7, P141

[10] USE OF BIORTHOGONAL ORBITALS IN PERTURBATION CALCULATION OF MOLECULAR-INTERACTIONS FROM A MULTICONFIGURATIONAL UNPERTURBED STATE .2. [J].

GOUYET, JF .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (09) :3690-3694

← 1 2 3 →