[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.

Dr. Bende Attila (PhD)
Senior Researcher III

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

More information about the Molpro-user mailing list