[molpro-user] Regarding excited state property of high symmetric system

Rameswar Bhattacharjee rameswarb22 at gmail.com
Mon Jun 16 15:09:43 BST 2014


Dear all molpro users

I want to calculate some excited state property of benzene(D6H) like
excited state electroni configuration ,excitation energy from ground state
to a particular symmetric electronic state.But Since *MOLPRO* can handle
only   point-groups.So How can I handle high symmetric molecule like D6H
system ,Td System,Oh system.

Please give me some suggestion.All suggestion will be highly
appreciated.Thank you.

-- 
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*"The man who makes no mistakes does not usually make anything."*
*                                  Edward John Phelps (1822-1900)*
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Rameswar Bhattacharjee
Junior Research Fellow
Dept. of Spectroscopy
Indian Association for the Cultivation of Science
Jadavpur, Kolkata-32
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