Geometry optimization in delocalized internal coordinates: An efficient quadratically scaling algorithm for large molecules

Journal of Chemical Physics

Volumn 110, Issue 11, 1999, Pages 4986-4991

  Baker, Jon ^a   Kinghorn, Don ^a,b   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

^b University of Arizona   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001292335     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478397     Document Type: Article

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