[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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