A Python implementation of the Rydberg–Klein–Rees method and radial Schrödinger equation.
RKR:
- Implement iterative subdivision integration for
$f$ and$g$ - Use Gauss–Mehler and Gauss–Legendre quadrature where appropriate
Radial:
- Extrapolate data inward and outward using exponential and/or inverse-power terms
- Compute Franck–Condon factors from wavefunction overlaps
- Interpolate using piecewise polynomials
Copyright (C) 2025 Nathan G. Phillips
This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.
You should have received a copy of the GNU General Public License along with this program. If not, see https://www.gnu.org/licenses/.