Posted by paul on April 19, 2010 at 10:17:13:
I would like to know if there are any plans to include the analytic calculation of nonadiabatic coupling terms on the MCSCF/MRCI level into the molcas program package in the near future?
Thanks!
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Subject:
if B is 1s22s22p1, what is Li?
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Comments: : I would like to know if there are any plans to include the analytic calculation of nonadiabatic coupling terms on the MCSCF/MRCI level into the molcas program package in the near future? : Thanks!