Published July 3, 2016 | Version v0.1-alpha
Software Open

PyDiatomic: PyDiatomic initial release

Creators

  • 1. Australian National University

Description

Initial release of PyDiatomic containing Python3.5 code to solve the time-independent Schroedinger equation for the nuclear motion of diatomic molecules, using the Johnson renormalized Numerov method. Also includes a basic rkr.py (Rydberg-Klein-Rees) potential energy curve method to generate potential energy curves from spectroscopic constants.

Files

PyDiatomic-v0.1-alpha.zip

Files (277.5 kB)

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Additional details

Related works

Is supplement to
https://github.com/stggh/PyDiatomic/tree/v0.1-alpha (URL)