[molpro-user] LocalCC2
Attila Bende
attlbende at gmail.com
Tue Jul 7 20:40:15 BST 2009
Dear Molpro Users!
I would appreciate if somebody could help me offering any description
(shorter or larger) about the local CC2 method.
The Molpro 2008 manual contain only a short reference about it.
How I should use for excited state calculation?
How to set different excited states?
Can be used also for geometry optimization?
Thank you for any help.
Attila
--
Dr. Bende Attila (PhD)
Senior Researcher III
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National Institute of R&D of Isotopic and Molecular Technology
Str. Donath nr.71-103, C.P.700
Cluj-Napoca, R-400293, Romania
Phone:+40-264-584037, ext. 216, Fax: +40-264-420042
e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
Web: http://www.itim-cj.ro/~bende/index.html
http://www.researcherid.com/rid/A-6539-2008
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