A phase space electronic structure method is introduced and tested on three-body problems to incorporate geometric forces and generalize the Moody-Shapere-Wilczek monopole for non-adiabatic dynamics.
Hammes-Schiffer, Introduction: Proton-coupled elec- tron transfer
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Electronic Structure in a Phase Space, non-Born-Oppenheimer Framework: Geometric Forces and Moody-Shapere-Wilzcek Revisited
A phase space electronic structure method is introduced and tested on three-body problems to incorporate geometric forces and generalize the Moody-Shapere-Wilczek monopole for non-adiabatic dynamics.