CDTK.Models.DiabaticToAdiabatic2States module

class CDTK.Models.DiabaticToAdiabatic2States.DiabaticToAdiabatic2States(fW11, fW22, fW12, fdqW11, fdqW22, fdqW12)[source]

Bases: object

Provide adiabatic quantities from a 2-states diabatic model Hamiltonian

ret_NAC()[source]: Return function for non-adiabatic coupling vector

ret_V1()[source]: Return pot function for lower eigenstate

ret_V2()[source]: Return pot function for upper eigenstate

ret_dqV1()[source]: Gradient of lower eigenstate

ret_dqV2()[source]: Gradient of upper eigenstate