[molpro-user]How to do MRSDCI calculations?

Yong zhangshiyang04 at mails.tsinghua.edu.cn
Tue Apr 22 04:07:26 BST 2008


  Dear Molpro users,

  I looked through the manual ,but there are only several command just like NOPAIR, NOSING to restrict 
  classes of excitations.Can you tell me whether an mrci calculation using the ci command does mrsdci or 
  mrsdtqci ? How could I perform mrsdci calculation using molpro ?

  Any suggestion would be appreciated. 

  Yours, Yong  
	





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