properties with castp2

Posted by Jan Franz on June 25, 2001 at 09:19:21:

Do molcas calculate the properties for CASPT2-
wavefunctions on CASSCF-level (if you order only one
root within the MS-CASPT2) or does is also use
perturbation-theory to calculate the properties?

with kind regards

jan franz, Uni Bonn

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• Re: properties with castp2 Per Ake Malmqvist 10:01:58 6/25/01 (0) 130.235.29.112

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: Do molcas calculate the properties for CASPT2- : wavefunctions on CASSCF-level (if you order only one : root within the MS-CASPT2) or does is also use : perturbation-theory to calculate the properties? : with kind regards : jan franz, Uni Bonn