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#1 2020-11-30 15:18:12
- vkj
- Member
- Registered: 2019-04-10
- Posts: 31
CASSCF Polarizable embedding
Is it possible to perform Polarizable embedding in State-Averaged CASSCF module using XFIELD in gateway and supplying charges/dipoles/polarizablilities ? Additionally in such a case is the external field + system QM electronic density self-consistently polarized for all the states in the state-averaged computation ?
Many Thanks
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