For a pair of two-level molecules, semiclassical Ehrenfest dynamics with a fully correlated Hamiltonian (#I-FCI) overestimates long-time electronic energy under driving, while simpler mean-field or truncated methods do not.
These ex- act, molecular quantum dynamics are known as time- dependent full configuration interaction (TD-FCI)
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Understanding the Nature of Mean-Field Semiclassical Light-Matter Dynamics: An Investigation of Energy Transfer, Electron-Electron Correlations, External Driving and Long-Time Detailed Balance
For a pair of two-level molecules, semiclassical Ehrenfest dynamics with a fully correlated Hamiltonian (#I-FCI) overestimates long-time electronic energy under driving, while simpler mean-field or truncated methods do not.