[molpro-user] CASSCF excited states

[Peter Knowles]

There are certainly descriptions, pointers to the literature, and  
examples in the manual and in also the directory molpro2006.1/ 
examples. I suggest that you start there, and contemplate posting to  
the user list when you have a specific question that needs more  
specialist knowledge from someone.

Peter

On 6 Jun 2007, at 18:53, ashutosh gupta wrote:

> Dear All,
> I am able to run ground state calculations using
> CASSCF:
>
> CASSCF;
> {core,10,0
> closed,18,0
> occ,23,7
>
> Can anyone please tell me how to do excited states
> caulations using CASSCF method?
>
>
> Thanking you
>
> yours sincerely
> Ashutosh
>
>
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--
Prof. Peter J. Knowles
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Cardiff CF10 3AT, UK
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pjknowles
Email KnowlesPJ at Cardiff.ac.uk  WWW http://www.cardiff.ac.uk/chemy/ 
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