On decomposition of interaction-induced electric properties of HF dimer

被引：19
|
作者：
Skwara, Bartlomiej [2 ]
Kaczmarek, Anna [1 ]
Gora, Robert W. [2 ]
Bartkowiak, Wojciech [2 ]
机构：
[1] Nicholas Copernicus Univ, Fac Chem, PL-87100 Torun, Poland
[2] Wroclaw Univ Technol, Inst Phys & Theoret Chem, PL-50370 Wroclaw, Poland
来源：
CHEMICAL PHYSICS LETTERS | 2008年 / 461卷 / 4-6期
关键词：
D O I：
10.1016/j.cplett.2008.07.019
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：
Interaction energy in the linear HF dimer is calculated by means of the variational-perturbational scheme. Interaction-induced electric properties: dipole moment, polarizability and first-order hyperpolarizability are decomposed into the terms of physical meaning as the corresponding derivatives of the interaction energy components. The distance dependence of the particular contributions to the interaction energy as well as to the electric properties is reported. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码：203 / 206
页数：4
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