Charusita Chakravarty
Department of Chemistry, Indian Institute of Technology-Delhi, Hauz Khas, New Delhi 110116, India

Pablo G. Debenedetti
Department of Chemical Engineering, Princeton University, Princeton, New Jersey 08544

Frank H. Stillinger
Department of Chemistry, Princeton University, Princeton, New Jersey 08544

Received 12 August 2005; accepted 27 September 2005; published online 23 November 2005.

J. Chem. Phys. 123, 206101 (2005)

Abstract

Properties of minima obtained by two different local minimization algorithms, the conjugate gradient and the limited-memory Broyden-Fletcher-Goldfarb-Shanno, are compared for a liquid whose particles interact via a modified Lennard-Jones pair interaction. The average properties of inherent structures obtained by the two minimization procedures are shown to agree within statistical error, though for a given starting configuration the two algorithms may not quench to identical minima.