[molpro-user] eom-ccsd for triplet state

Tatiana Korona tania at tiger.chem.uw.edu.pl
Tue Nov 24 13:36:05 GMT 2009



On Tue, 24 Nov 2009, SUSANTH GHANTA wrote:

> Dear molpro user and developers,
> can i get the excitation energy for triplet states using EOM-CCSD method by
> using molpro Version 2002.6.
> sincerely,
> Ph. D student
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Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND

`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)

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