Gradient incorporation in one-dimensional applications of interpolating moving least-squares methods for fitting potential energy surfaces

Theoretical Chemistry Accounts

Volumn 118, Issue 4, 2007, Pages 755-767

  Tokmakov, Igor V ^a   Wagner, Albert F ^b   Minkoff, Michael ^b   Thompson, Donald L ^a  

^a UNIVERSITY OF MISSOURI   (United States)

^b ARGONNE NATIONAL LABORATORY   (United States)

Author keywords

Interpolating moving least squares; Polynomial fitting; Potential energy surface

Indexed keywords

EID: 35348863695     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-007-0358-7     Document Type: Article

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