Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization-Reference-Cited by-同舟云学术

Permutationally Invariant Polynomial Basis for Molecular Energy Surface Fitting via Monomial Symmetrization

Published:2009-11-23 Issue:1 Volume:6 Page:26-34
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Xie Zhen¹,Bowman Joel M.¹

Affiliation:

1. Mathematics and Computer Science Division, Argonne National Laboratory, 9700 S. Cass Avenue, Argonne, Illinois 60439 and Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, 1515 Dickey Drive, Emory University, Atlanta, Georgia 30322

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct9004917

Reference32 articles.

1. The analytical representation of electronic potential-energy surfaces

2. CONSTRUCTING MULTIDIMENSIONAL MOLECULAR POTENTIAL ENERGY SURFACES FROM AB INITIO DATA

3. Permutationally invariant potential energy surfaces in high dimensionality

4. An ab Initio Based Global Potential Energy Surface Describing CH5+ → CH3+ + H2

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