Efficient simulation of multielectron dynamics in molecules under intense laser pulses: implementation of the multiconfiguration time-dependent Hartree–Fock method based on the adaptive finite element method
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DOI: 10.1139/cjc-2022-0280
Abstract: We present an implementation of the multiconfiguration time-dependent Hartree–Fock method based on the adaptive finite element method for molecules under intense laser pulses. For efficient simulations, orbital functions are propagated by a stable propagator using… read more here.
Keywords: time dependent; implementation multiconfiguration; method; multiconfiguration time ... See more keywords