Procedure files written for IgorPro, for the solution of the Schroedinger equation (or the radial nuclear equation) for molecular hydrogen and its isotopes. This scheme uses a known potential curve available as a vector over the inter-nuclear distance.
Python implementation is available here
For actual experiment files (IgorPro .pxp files) for H2 and isotopologues, see repository on zenodo.
Published works from this research in the following reports:
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A. Raj, H. Hamaguchi, and H. A. Witek, J. Chem. Phys. 148, 104308 (2018).
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A. Raj, H. A. Witek, and H. Hamaguchi, Mol. Phys. 118, e1632950 (2019).
General applicability: With a known electronic potential function ( over the inter-nuclear distance) solutions for the rovibrational states (i.e. energies and the corresponding wavefunctions) can be obtained. This was tested with the case of O2.
This documentation is incomplete. Use Issues to to raise questions and/or to request further documentation.