A parallel Fortran program for calculation of ro-vibrational energy levels and lifetimes of ABA-molecules.
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Updated
Nov 9, 2022 - Fortran
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rovibrational-states
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This repository contains Fortran code that computes the rovibrational structure of a diatomic molecule in a given closed-shell electronic potential curve. The eigensystem is obtained by using Discrete Variable Representation (DVR).
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Dec 30, 2021 - Jupyter Notebook
Set of data on polarizability and a python program for the interpolation (of wavelength dependent polarizability) and computation of the matrix elements(for rovibrational states) for molecular hydrogen (and its isotopologues) within the ground electronic state .
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Aug 15, 2021 - Fortran
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