PyQCAMS: Python Quasi-Classical Atom–Molecule Scattering

PyQCAMS: Python Quasi-Classical Atom–Molecule Scattering

We present Python Quasi-classical atom–molecule scattering (PyQCAMS v0.1.0), a new Python package for atom–diatom scattering within the quasi-classical trajectory approach. The input consists of the mass, collision energy, impact parameter, and pair-wise/three-body interactions. As the output, the c...

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Bibliographic Details
Main Authors: Rian Koots, Jesús Pérez-Ríos
Format: Article
Language:English
Published: MDPI AG 2024-05-01
Series:Atoms
Subjects:
atom–molecule scattering
quasi-classical trajectory calculations
molecular dissociation
vibrational quenching
reactive scattering
Online Access:https://www.mdpi.com/2218-2004/12/5/29

Internet

https://www.mdpi.com/2218-2004/12/5/29

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