[molpro-user] permanent dipole moment
Łukasz Miądowicz
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
Łukasz Miądowicz
--
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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