[molpro-user] permanent dipole moment
l.miadowicz at gmail.com
Mon Jan 3 20:08:38 GMT 2011
Hi molpro users!
I have a question is it possible to calculate permanent dipole moments for
diatomic molecules using molpro package ?
In my calculations I'm using RHF, CASSCF and CI methods .
What functions should I use to calculate this
Thank you very much for any answers
Department of Theoretical Physics and Quantum Informatics
Faculty of Applied Physics and Mathematics
Gdansk University of Technology
ul. Gabriela Narutowicza 11/12
80-233 Gdansk, Poland
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