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Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function
Quan-de Wang,Han-yu Wu,Ke-xiang Fu,Xiang-yuan Li*
Author NameAffiliationE-mail
Quan-de Wang College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Han-yu Wu College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Ke-xiang Fu College of Chemical Engineering, Sichuan University, Chengdu 610065, China  
Xiang-yuan Li* College of Chemical Engineering, Sichuan University, Chengdu 610065, China xyli@scu.edu.cn 
Abstract:
A generalized response function based on the use of dielectric spectra for dielectric relaxation process is derived.We apply the general response function to the special case in order to examine how special dielectric relaxation functions developed by other authors for solvent relaxation can be derived based on our formulations.Three typical solvents,water,methanol,and acetonitrile are used to investigate the electronic polarization processes of polar solvents.The solvent electronic polarization process is shown after a linear variation with the external electric field imposed on the solvent.The results show a conclusion that the electronic polarization of the solvents will accompany the electronic transition synchronously, without time lag.
Key words:  Response function, Dielectric relaxation, Electronic polarization, Continuum model
FundProject:
Continuum Model for Electronic Polarization Based on a Novel Dielectric Response Function
王全德,吴汉宇,傅克祥,李象远*
摘要:
基于连续介质模型推导了一个普适的描述电介质介电弛豫过程的响应函数. 该介电响应函数依赖于电介质的介电谱. 基于该函数推导得到了以前特殊情况下用于描述溶剂弛豫的响应函数一致的表达式.结合三种典型极性溶剂,水、甲醇和乙腈的介电谱,研究了三种溶剂在外加电场线性变化时的电子极化过程. 结果表明,溶剂的电子极化伴随着电子跃迁同步发生,没有时滞.
关键词:  响应函数,介电弛豫,电子极化,连续模型
DOI:10.1088/1674-0068/22/05/481-488
分类号: