[molpro-user] CASSCF excited states

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Wed Jun 6 21:07:50 BST 2007

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.


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

> Dear All,
> I am able to run ground state calculations using
> {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
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030  Skype: callto:// 
Email KnowlesPJ at Cardiff.ac.uk  WWW http://www.cardiff.ac.uk/chemy/ 

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