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Electron Transfer, Diabatic Couplings and Vibronic Energy Gaps in a Phase Space Electronic Structure Framework

Zaidi, Zain et al.
arXiv (OAI Expanded) · Papers
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chemical-physics
We investigate the well-known Shin-Metiu model for an electronic crossing, using both a standard Born-Huang (BH) framework and a novel phase space (PS) electronic Hamiltonian framework. We show that as long as we are not in the strongly nonadiabatic region, a phase space framework can obtain a relat
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