[molpro-user] freeze virtual

Peterson, Kirk kipeters at wsu.edu
Wed May 1 16:52:50 BST 2013

Hi Jacek,

I believe the answer is a firm no.



On May 1, 2013, at 2:58 AM, Jacek Koput <koput at amu.edu.pl> wrote:

> Dear All,
> I have a simple question (and cannot find the answer in the manual): Is it possible in Molpro to freeze some highest energy unoccupied orbitals in the correlation treatment (no excitations into these orbitals)?
> Best wishes,
> Jacek Koput
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