[molpro-user] doubly excited state

[Lukáš Félix Pašteka]

Hello,

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
 eompar,inisingl=0

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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