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

页码：466 / 471

页数：6

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