TOWARDS A CONFIGURATION-INTERACTION METHOD WITH FLEXIBLE SPACES

被引：0

作者：

DUCH, W ^{[1
]}

机构：

[1] ZAKLAD INFORMAT STOSOWANEJ UMK, PL-87100 TORUN, POLAND

来源：

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY | 1990年

关键词：

D O I：

暂无

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：

A configuration interaction (CI) method is presented in which the space of configuration state functions expands in every iteration until all numerically significant configurations are taken into account. The algorithm is based on a new scheme of addressing unstructured sets of configurations and on the projection into the space of intermediate spin-adapted configurations with 2 electrons fixed on "ghost" orbitals.

引用

页码：683 / 692

页数：10

共 26 条

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DUCH, W
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[6] SYMMETRIC GROUP GRAPHICAL APPROACH TO THE DIRECT CONFIGURATION-INTERACTION METHOD
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[7] VISUALIZATION OF MANY-PARTICLE MODEL SPACES WITH APPLICATION TO THE SHELL-MODEL CALCULATIONS
DUCH, W
[J]. JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 1987, 20 (07): : 1633 - 1643
[8] THE SUPERDIRECT CONFIGURATION-INTERACTION METHOD
DUCH, W
[J]. CHEMICAL PHYSICS LETTERS, 1989, 162 (1-2) : 56 - 60
[9] DUCH W, 1986, LECTURE NOTES CHEM, V42
[10] DUCH W, 1985, COMPUT PHYS REP, V2, P92

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