[molpro-user] Local CC2

Attila Bende attlbende at gmail.com
Thu Jun 25 16:25:02 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
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e-mail: bende at itim-cj.ro, attlbende at yahoo.co.uk
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         http://www.researcherid.com/rid/A-6539-2008
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