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

François Mauger, Cristel Chandre, Mette B. Gaarde, Kenneth Lopata, Kenneth J. Schafer. Hamiltonian formulation and symplectic split-operator schemes for time-dependent density-functional-theory equations of electron dynamics in molecules. Commun. Nonlinear Sci. Numer. Simul., 129:107685, February 2024. [doi]

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