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

[Simperler, Alexandra]

Dear Rameswar,
You need to use the largest Abelian subgroup.
For D6H this would be D2H
Kind regards
Alex

From: Molpro-user [mailto:molpro-user-bounces at molpro.net] On Behalf Of Rameswar Bhattacharjee
Sent: 16 June 2014 15:10
To: molpro-user at molpro.net
Subject: [molpro-user] Regarding excited state property of high symmetric system

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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