QMol-grid : A MATLAB package for quantum-mechanical simulations in atomic and molecular systems. - François Mauger; Cristel Chandre (SoftwareX, 2024)

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 (Commun. Nonlinear Sci. Numer. Simul., 2024)