A revised TS-BFGS update formula

Journal of Molecular Structure: THEOCHEM

Volumn 591, Issue 1-3, 2002, Pages 35-57

  Bungay, Sharene D ^a   Poirier, Raymond A ^b  

^a UNIVERSITY OF GUELPH   (Canada)

^b MEMORIAL UNIVERSITY OF NEWFOUNDLAND   (Canada)

Author keywords

Hessian update; Optimization; Rank one update; Transition state structure

Indexed keywords

ARTICLE; CALCULATION; MATHEMATICAL MODEL; PHASE TRANSITION; RELIABILITY;

EID: 0037200359     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00209-9     Document Type: Article

References (13)

1. Optimally conditioned optimization algorithms without line searches