Breit–Pauli R-Matrix approach for the time-dependent investigation of ultrafast processes

Published: 07-04-2020| Version 1 | DOI: 10.17632/prk6fsn56y.1
Jack Wragg,
Connor Ballance,
Hugo van der Hart


We have refactored the Breit–Pauli R-Matrix integral package within the RMatrxI package to employ a B-Spline basis to allow for level-resolved time-dependent R-Matrix calculations involving a laser pulse. The B-Spline approach independently verifies the accuracy of the current integral package pstg1r.f, but requires greater flexibility at the R-Matrix boundary when describing the continuum wavefunctions. This adaptation can be integrated with either the subsequent serial or parallel Breit–Pauli suite of codes.