4 papers
Variable coherence model for free-electron laser pulses
Austin Bartunek, Nils H. Sommerfeld, Francois Mauger
We introduce the variable coherence model (VCM) for simulating free-electron laser (FEL) pulses generated through self-amplified spontaneous emission. Building on the established p…
Extended phase-space symplectic integration for electron dynamics
Francois Mauger, Cristel Chandre
We investigate the use of extended phase-space symplectic integration for simulating two different classes of electron dynamics. The first one, with one and a half degrees of freed…
Configuration-interaction calculations with density-functional theory molecular orbitals for modeling valence- and core-excited states in molecules
Giorgio Visentin, Francois Mauger
We investigate configuration-interaction (CI) calculations on a basis of molecular orbitals generated by preliminary density-functional theory (DFT) calculations. We use this CI/DF…
QMol-grid: A MATLAB package for quantum-mechanical simulations in atomic and molecular systems
Francois Mauger, Cristel Chandre
The QMol-grid package provides a suite of routines for performing quantum-mechanical simulations in atomic and molecular systems, currently implemented in one spatial dimension. It…