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A Born-Oppenheimer approximation for path integrals with an application to electron solvation in polarizable fluids
A Born-Oppenheimer approximation path integrals an application to electron solvation polarizable fluids
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2014/9/24
The Born-Oppenheimer approximation is introduced into the path integral expression for the canonical partition function. It is difficult to apply this to simulations. We devise a new adiabatic express...