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Learning Memory-Dependent Neural Network Correlation Potentials for Accurate Electron Dynamics

Bhat, Harish S. et al.
arXiv (All) · Papers
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chemical-physicscomputational-physicsoptimization-and-control
Time-dependent density functional theory, though exact in theory, is in practice applied in an adiabatic approximation using exchange-correlation functionals with only local temporal dependence. Simultaneously, the exact correlation potential formally depends on, among other quantities, the time-his
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