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DOE OSTI · 2576499

Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules

Mauger, François (ORCID:0000000175556001)·Chandre, Cristel (ORCID:000000033667259X)·Gaarde, Mette (ORCID:0000000278155534)·Lopata, Kenneth (ORCID:000000029141684X)·Schafer, Kenneth (ORCID:0000000347409113)
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Mauger, François (ORCID:0000000175556001), Chandre, Cristel (ORCID:000000033667259X), Gaarde, Mette (ORCID:0000000278155534), Lopata, Kenneth (ORCID:000000029141684X), Schafer, Kenneth (ORCID:0000000347409113). 2024-02-01. Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules. https://doi.org/10.1016/j.cnsns.2023.107685

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