Examples for CMS-PDFT (Transition) Dipole Moments

pyscf / pyscf-forge

pyscf-forge is a staging ground for code that may be suitable for pyscf-core

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Examples for CMS-PDFT (Transition) Dipole Moments #63

Closed matthew-hennefarth closed 1 month ago

matthew-hennefarth commented 3 months ago

Currently there are no CMS-PDFT examples for dipole or transition dipole moments. Also, we should add examples for MC-PDFT dipole moments based on a state-averaged wave function.