Ab initio density functional theory for spin-polarized systems

被引：21
|
作者：
Bokhan, Denis [1 ]
Bartlett, Rodney J. [1 ]
机构：
[1] Univ Florida, Quantum Theory Project, Gainesville, FL 32611 USA
来源：
CHEMICAL PHYSICS LETTERS | 2006年 / 427卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2006.07.020
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：
Ab initio density functional method, based on second-order many-body perturbation theory has been generalized to apply to spinpolarized open-shell systems. Results for energies and V-xc are presented. (c) 2006 Elsevier B.V. All rights reserved.
引用
收藏
页码：466 / 471
页数：6
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