atomic charges for excited states
- From: leizhang$at$alcor.concordia.ca
- Subject: atomic charges for excited states
- Date: Tue, 10 Aug 2004 12:29:53 -0400
Hi, All,
We are dealing with radical cation using MCSCF with GAMESS. It is always the
set of atomic charges for ground state that is printed out in the log file.
How could I get atomic charges (Lowdin) corresponding to the excited state
also. Is it doable using GAMESS?
Any input is appreciated!
Best regards,
Lei Zhang
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CERMM(Centre for Research in Molecular Modeling)
Department of Chemistry and Biochemistry
Concordia University (Loyola Campus)
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