Multi-fidelity Gaussian process modeling for chemical energy surfaces
Author:
Funder
U.S. Department of Energy
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference50 articles.
1. The analytical representation of electronic potential-energy surfaces;Schatz;Rev. Mod. Phys.,1989
2. Molecular potential energy surfaces by interpolation;Ischtwan;J. Chem. Phys.,1994
3. Constructing multidimensional molecular potential energy surfaces from ab inito data;Hollebeek;Annu. Rev. Phys. Chem.,1999
4. A new functional form to obtain analytical potentials of triatomic molecules;Aguado;J. Chem. Phys.,1992
5. Classical and quasiclassical spectral analysis of CH5+ using an ab initio potential energy surface;Brown;J. Chem. Phys.,2003
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