Global optimization of clusters using electronic structure methods

Over the past decade, there has been a significant growth in the development and application of methods for performing global optimization (GO) of cluster and nanoparticle structures using first‐principles electronic structure methods coupled to sophisticated search algorithms. This has in part been...

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Veröffentlicht in:	International journal of quantum chemistry 2013-09, Vol.113 (18), p.2091-2109
Hauptverfasser:	Heiles, Sven, Johnston, Roy L.
Format:	Artikel
Sprache:	eng
Schlagworte:	basin Chemistry clusters and nanoparticles first principles methods genetic algorithms global optimization hopping Physical chemistry Quantum physics
Online-Zugang:	Volltext
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