Extension of the effective relativistic coupling by asymptotic representation (ERCAR) approach to multi-dimensional potential energy surfaces: 3D model for CH3I
Author:
Affiliation:
1. Theoretische Chemie, Universität Bielefeld, Postfach 100131, D-33501 Bielefeld, Germany
Funder
Deutsche Forschungsgemeinschaft
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5011757
Reference103 articles.
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5. Interpolating moving least-squares methods for fitting potential energy surfaces: Analysis of an application to a six-dimensional system
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