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An information-theoretic approach to basis-set fitting of electron densities and other non-negative functions.
Tehrani, Alireza; Anderson, James S M; Chakraborty, Debajit; Rodriguez-Hernandez, Juan I; Thompson, David C; Verstraelen, Toon; Ayers, Paul W; Heidar-Zadeh, Farnaz.
Affiliation
  • Tehrani A; Department of Chemistry, Queen's University, Kingston, Ontario, Canada.
  • Anderson JSM; Instituto de Química, Universidad Nacional Autónoma de México, Ciudad de México, Mexico.
  • Chakraborty D; Department of Physics, Wake Forest University, Winston-Salem, North Carolina, USA.
  • Rodriguez-Hernandez JI; Center for Functional Materials, Wake Forest University, Winston-Salem, North Carolina, USA.
  • Thompson DC; Escuela Superior de Física y Matemáticas, Instituto Politécnico Nacional, Mexico.
  • Verstraelen T; Chemical Computing Group, Montreal, Quebec, Canada.
  • Ayers PW; Center for Molecular Modeling (CMM), Ghent University, Zwijnaarde, Belgium.
  • Heidar-Zadeh F; Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario, Canada.
J Comput Chem ; 44(25): 1998-2015, 2023 Sep 30.
Article in En | MEDLINE | ID: mdl-37526138
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2023 Type: Article Affiliation country: Canada
Fulltext
Print
XML
PubMed Links
Search on Google

Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2023 Type: Article Affiliation country: Canada