[molpro-user] Question regarding electronic state specification

Yang, Dr S.F. sfy1 at leicester.ac.uk
Fri Oct 30 13:25:41 GMT 2009


Dear All,

I intend to calculate the potential curve of CoHe complex, with the ground state of Cobalt as 4F(9/2). How can I specify this state in the WF card?

Thank you very much for your help!

Sincerely Yours,

Dr. Shengfu YANG
-------------------------
Department of Chemistry
University of Leicester
Leicester LE1 7RH
UK
Tel: +44-116 252 2127
Fax: +44-116 252 3789
-------------------------




More information about the Molpro-user mailing list