How good is a Broyden-Fletcher-Goldfarb-Shanno-like update Hessian formula to locate transition structures? Specific reformulation of Broyden-Fletcher-Goldfarb-Shanno for optimizing saddle points

Journal of Computational Chemistry

Volumn 19, Issue 3, 1998, Pages 349-362

  Anglada, Josep Maria ^a   Bofill, Josep Maria ^b  

^a DEPT OF ENVIRONMENTAL CHEMISTRY   (Spain)

^b UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Broyden Fletcher Goldfarb Shanno formula; Optimization; Saddle points; Transition structures; Update Hessian formula

Indexed keywords

EID: 0000726743     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199802)19:3<349::AID-JCC8>3.0.CO;2-T     Document Type: Article

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