DECOMPOSITION OF THE INTERACTION CORRELATION-ENERGY IN TERMS OF LOCALIZED ORBITAL CONTRIBUTIONS

被引：5
|
作者：
KOZMUTZA, C
KAPUY, E
TFIRST, E
机构：
[1] Quantum Theory Group, Physics Institute, Technical University of Budapest, Budapest
来源：
MOLECULAR PHYSICS | 1994年 / 82卷 / 02期
基金：
新加坡国家研究基金会;
关键词：
D O I：
10.1080/00268979400100254
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：
The interaction energy between two He atoms was computed via a specific supermolecule method. The essence of the approach lies in using a localized representation both in occupied and in virtual space. This method, localized many-body perturbation theory, makes it possible to investigate the correlation energy contributions in a straightforward manner.
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页码：343 / 349
页数：7
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