On the Choice of the Ab Initio Level of Theory for Potential Energy Surface Developments
Author:
Affiliation:
1. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, Eötvös University, H-1518 Budapest 112, P.O. Box 32, Hungary
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp411652u
Reference35 articles.
1. Permutationally invariant potential energy surfaces in high dimensionality
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5. A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks
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