Potential energy surface fitting by a statistically localized, permutationally invariant, local interpolating moving least squares method for the many-body potential: Method and application to N4

Journal of Chemical Physics

Volumn 140, Issue 5, 2014, Pages

  Bender, Jason D ^a   Doraiswamy, Sriram ^a   Truhlar, Donald G ^b   Candler, Graham V ^a  

^a University of Minnesota   (United States)

^b UNIVERSITY OF MINNESOTA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; INTERPOLATION; MOLECULAR DYNAMICS; MOLECULAR PHYSICS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SURFACE FITTING;

INTERPOLATING MOVING LEAST SQUARES; INTERPOLATING MOVING LEAST-SQUARES METHODS; MANY-BODY INTERACTIONS; MANY-BODY POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS; PAIRWISE INTERACTION; PERMUTATIONALLY INVARIANT; TRAJECTORY CALCULATIONS;

LEAST SQUARES APPROXIMATIONS;

EID: 84905592054     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4862157     Document Type: Article

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