%0 Journal Article
%T Effects of spin multiplicity on atomic structure of titanium trimer<br>自旋多重度对钛三聚体原子结构的影响
%A Chang Zhi-Wen
%A Wang Qing-Lin
%A Luo You-Hua
%A <br>常志文
%A 王清林
%A 罗有华
%J 物理学报
%D 2006
%I 
%X Atomic structures of titanium trimer have been obtained at different spin multiplicities by means of density functional theory (DFT) method. Also,vibrational frequencies of corresponding atomic structures were calculated. The results indicate that effects of spin multiplicity on atomic structure of titanium trimer are remarkable,especially for bond distances and vibrational frequencies. After taking account of spin multiplicities,the ground state of titanium trimer is a septet.
%K titanium trimer
%K spin multiplicity
%K atomic structure<br>钛三聚体
%K 自旋多重度
%K 原子结构
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=F9F83A532883412E&yid=37904DC365DD7266&vid=E514EE58E0E50ECF&iid=9CF7A0430CBB2DFD&sid=6F12FAFC22116C09&eid=EDF56F58D2CE88A8&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=8