Molecular potential energy surfaces by interpolation: Strategies for faster convergence
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1809579
Reference11 articles.
1. Molecular potential-energy surfaces for chemical reaction dynamics
2. CONSTRUCTING MULTIDIMENSIONAL MOLECULAR POTENTIAL ENERGY SURFACES FROM AB INITIO DATA
3. Learning to interpolate molecular potential energy surfaces with confidence: A Bayesian approach
4. Polyatomic molecular potential energy surfaces by interpolation in local internal coordinates
5. Molecular potential-energy surfaces by interpolation: Further refinements
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