%0 Journal Article
%T Theoretical study of molecular vibrational hyperpolarizability of 4-N-methylstilbazonium salt derivatives<br>4-N-甲基苯乙烯砒啶盐衍生物振动超极化率的理论研究
%A Lu Zhen-Ping
%A Han Kui
%A Li Hai-Peng
%A Zhang Wen-Tao
%A Huang Zhi-Min
%A Shen Xiao-Peng
%A Zhang Zhao-Hui
%A Bai Lei
%A <br>逯振平
%A 韩奎
%A 李海鹏
%A 张文涛
%A 黄志敏
%A 沈晓鹏
%A 张兆慧
%A 白磊
%J 物理学报
%D 2007
%I 
%X Based on double harmonic oscillator (DHO) approximation, the static vibrational first hyperpolarizabilities,and the IR and Raman spectra of 4-N-methylstilbazonium salt derivatives are calculated using coupled perturbed Hartree-Fock (CPHF) approach. Two vibrational normal modes which dominate the contribution to the vibrational first hyperpolarizabilities are obtained. It is found that the static vibrational first hyperpolarizabilities of title molecules are large and show a good linear relationship with their electronic counterparts. For the first time we give an approach of estimating the vibrational first hyperpolarizabilities using a few normal modes identified from IR and Raman spectral peaks, which the name as the few mode approach. The results indicate that this approach is practical in the estimation of the vibrational first hyperpolarizability.
%K vibrational hyperpolarizability
%K double harmonic oscillator approximation
%K IR spectrum
%K Raman spectrum<br>振动超极化率
%K 双谐振子近似
%K 红外光谱
%K 拉曼光谱
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=81ADA9CF3DAEEF70&yid=A732AF04DDA03BB3&vid=014B591DF029732F&iid=F3090AE9B60B7ED1&sid=55150B1A285E27FF&eid=CF76A37C6EFD8E3B&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=30