Just a meta repo of my repos that I mostly use for research.
Solve the (ro)vibrational Schödinger Equation with a basis of B-splines, optionally with a complex absorbing potential
Determine the lifetimes of excited molecular states using spectral data from the CDMS
direct Dissociative Eelectron Attachment and Recombination cross sections given scattering eigenphase data
Dissociative Recombination and Photo↔Ionization
Dissociative Recombination and PhotoIonization
Calculate real-valued Coulomb and Bessel functions
Calculate complex-valued Coulomb and Bessel functions
Electron-impact rotational excitation of asymmetric-top molecular ions
Various scripts that I use daily. Not all are science-related, but several are.
Solve the 1D rovibrational Schrödinger Equation with Exterior Complex Scaling
Copy of the UKRmol+ inner codes, with some small patches
A copy o f the UKRmol+ outter region codes, with some patches
Tweaked versions of UKRmol-Scripts
Evaluation of Whittaker functions and Whittaker Coulomb functions
Fortran routines to calculate the Wigner D-matrix and d-matrix.