%0 Journal Article
%T Exploration of the potential acting on an electron within diatomic molecules<br>
%A ZHAO Dongxia
%A GONG Lidong
%A YANG Zhongzhi
%A <br>
%J 科学通报(英文版)
%D 2002
%I 
%X The potential acting on an electron within a molecule (PAEM) is formulated, and then calculated using the ab initio MELD program plus a separate calculation program in the RHF molecular orbital theory, finally the three-dimensional graphs of the potentials have been drawn. We have systematically investigated this kind of the potentials for a series of the diatomic molecules, such as HF, HCl, HBr, LiF, LiCl, and so on. The three-dimensional graph can clearly display the variation of the potential felt by an electron within a molecule and get a deeper understanding of the electronic motion and chemical bonding within a molecule.
%K diatomic molecule
%K potential acting on an electron
%K three-dimensional graph
%K chemical bonding<br>
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=01BA20E8BA813E1908F3698710BBFEFEE816345F465FEBA5&cid=96E6E851B5104576C2DD9FC1FBCB69EF&jid=DD6615BC9D2CFCE0B6F945E8D5314523&aid=CC63059F9FCE322662CF7A4354250362&yid=C3ACC247184A22C1&vid=F4B561950EE1D31A&iid=5D311CA918CA9A03&sid=20C9FB8C7B4A22AD&eid=DB7B2C790D19BE6E&journal_id=1001-6538&journal_name=科学通报(英文版)&referenced_num=0&reference_num=16