[molpro-user] calculate the dipole transition moments

Yusong Hao hys02 at mails.tsinghua.edu.cn
Fri May 25 06:43:46 BST 2007


Dear molpro_user,
    Has anyboby the experience in calculating the dipole transition moments if the molecule is in Hund case (c),that is to say,we want to calculate the Spin-orbital coupling and save the wavefunctions before we calculate the dipole transition moments?
    If anybody has the experience,can you give me such a example.
    Thanks so much!
	

        

Best wishes, 				
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Yusong Hao
Department of Physics
Tsinghua University
Beijing 100084, China
 
Tel: -86-10-62788938ext.206
FAX: -86-10-62781598
E-mail: hys02 at mails.tsinghua.edu.cn
 
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          2007-05-25




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