[molpro-user] Restricted virtual space

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Thu Dec 22 21:24:24 GMT 2011

Unfortunately this cannot in general be done.  If the total number of orbitals that you want is very small (32 or less), then you can do this using the multi reference CI code by including all the orbitals you want in the internal space, but I can easily imagine that you might want more than this.
On 22 Dec 2011, at 19:03, Thomas Vent-Schmidt wrote:

> Hello
> I want to run a CISD calculation with restricted virtual space. Does anybody know how I can specify this in my input?
> Thomas
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Prof. Peter J. Knowles             
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