Elongation coupled-perturbed Hartree-Fock method

被引：0
|
作者：
Gu, Feng Long [1 ]
Aoki, Yuriko [2 ]
Kirtman, Bernard [3 ]
机构：
[1] Kyushu Univ, Comp & Commun Ctr, Petasoale Syst Interconnect PSI Project Lab, Sawara Ku, 3-8-33-710 Momochihama, Fukuoka 8140001, Japan
[2] Kyushu Univ, Dept Mol & Mat Sci, Interdisciplinary Grad Sch Engn Sci, Fukuoka 8168580, Japan
[3] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA
来源：
RECENT PROGRESS IN COMPUTATIONAL SCIENCES AND ENGINEERING, VOLS 7A AND 7B | 2006年 / 7A-B卷
关键词：
elongation method; localization; CPHF method;
D O I：
暂无
中图分类号：
O29 [应用数学];
学科分类号：
070104 ;
摘要：
In this work, the localization scheme in the presence of external electric field is presented and the elongation coupled-perturbed Hartree-Fock method is derived. The results for polarizability are compared to the conventional ones, and the ELG-CPHF validity is confirmed.
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页码：1206 / +
页数：2
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