1999•The Journal of Chemical PhysicsRequires access
A local understanding of the quantum chemical geometric phase theorem in terms of diabatic states
Gregory J. Atchity, Klaus Ruedenberg
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Abstract
A global understanding of the geometric phase theorem associated with conical intersections is gained in terms of local properties of the Hamiltonian along the path actually traversed by means of a resolution of adiabatic states in terms of diabatic states. The analysis also answers certain questions that are left open by formulations in terms of intersection seams. It moreover leads to a method for determining the location of the adiabatic intersections.