TY - RPRT TI - Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules AU - Mauger, François (ORCID:0000000175556001) AU - Chandre, Cristel (ORCID:000000033667259X) AU - Gaarde, Mette (ORCID:0000000278155534) AU - Lopata, Kenneth (ORCID:000000029141684X) AU - Schafer, Kenneth (ORCID:0000000347409113) PY - 2024 DO - 10.1016/j.cnsns.2023.107685 UR - https://www.osti.gov/biblio/2576499 ID - 2576499 ER -