[molpro-user] doubly excited state

Lukáš Félix Pašteka felix at chello.sk
Mon May 19 20:37:37 BST 2008


I have a problem computing doubly excited state. How can I tell MOLPRO to compute exact doubly excited state (two electrons from HOMO to LUMO+1)? I tried:

 eom, -3.1, -3.2

which computed few states but not the one I am interested in. I would be grateful for any advice. Thanks in advance.

Lukas Pasteka
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