About: Finding Minimum-Energy Configurations of Lennard-Jones Clusters Using an EffectivePotential

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Attributs	Valeurs
type	work Article
Is Part Of	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_3/w
Subject	Article
Title	Finding Minimum-Energy Configurations of Lennard-Jones Clusters Using an EffectivePotential
has manifestation of work	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_3/101021jp9621181/m/print http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_3/101021jp9621181/m/web
related by	http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_3/101021jp9621181/authorship/1 http://hub.abes.fr/acs/periodical/jpcafh/1997/volume_101/issue_3/101021jp9621181/authorship/2
Author	Verschelde Henri Schelstraete Sigurd
Abstract	We study the multiple minima problem for Lennard-Jones clustersusing an effective potential which is afunction of the mean position x̄ and fluctuation σ atfinite temperature. It is shown that this methodsmoothsthe potential energy hypersurface and facilitates the search for theglobal minimum. The method is appliedto small Lennard-Jones clusters from 2 to 19 atoms and is shown to giveaccurate results.
article type	research-article
is part of this journal	The Journal of Physical Chemistry A

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