RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses

Brown, Andrew C.; Armstrong, Gregory S.J.; Benda, Jakub; Clarke, Daniel D.A.; Wragg, Jack; Hamilton, Kathryn R.; Mašin, Zdeněk; Gorfinkiel, Jimena D. and van der Hart, Hugo W. (2019). RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multi-electron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses. Computer Physics Communications (Early Access).

DOI: https://doi.org/10.1016/j.cpc.2019.107062

Abstract

RMT is a program which solves the time-dependent Schrödinger equation for general, multielectron atoms, ions and molecules interacting with laser light. As such it can be used to model ionization (single-photon, multiphoton and strong-field), recollision (high-harmonic generation, strong-field rescattering) and, more generally, absorption or scattering processes with a full account of the multielectron correlation effects in a time-dependent manner. Calculations can be performed for targets interacting with ultrashort, intense laser pulses of long wavelength and arbitrary polarization. Calculations for atoms can optionally include the Breit–Pauli correction terms for the description of relativistic (in particular, spin–orbit) effects.

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