A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries

A new approach to variable metric algorithms

R. Fletcher · The Computer Journal · 1970 · 4.1K citations · Full text

Computing, Computer Science, Algorithms +10

Conditioning of quasi-Newton methods for function minimization

David F. Shanno · Mathematics of Computation · 1970 · 3.7K citations · Full text

Computing, Computer Science, Mathematics +13

A family of variable-metric methods derived by variational means

Donald Goldfarb · Mathematics of Computation · 1970 · 3.1K citations

Natural Sciences, Mathematics, Computational Geometry +4

The Convergence of a Class of Double-rank Minimization Algorithms 1. General Considerations

C. G. Broyden · IMA Journal of Applied Mathematics · 1970 · 2.8K citations

Computing, Computer Science, Algorithms +9

Structure of transition states in organic reactions. General theory and an application to the cyclobutene-butadiene isomerization using a semiempirical molecular orbital method

James McIver, Andrew Komornicki · Journal of the American Chemical Society · 1972 · 812 citations

Natural Sciences, Chemistry, Computational Chemistry +8