TGMin: An efficient global minimum searching program for free and surface‐supported clusters

In this article, we introduce an efficient global‐minimum structural search program named Tsinghua Global Minimum 2 (TGMin‐2), which is the successor of the original TGMin algorithm that was developed in our group in 2011. We have introduced a number of new features and improvements into TGMin‐2, in...

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Veröffentlicht in:	Journal of computational chemistry 2019-04, Vol.40 (10), p.1105-1112
Hauptverfasser:	Chen, Xin, Zhao, Ya‐Fan, Zhang, Yang‐Yang, Li, Jun
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Basin‐Hopping boron clusters Clusters Computer simulation photoelectron spectroscopy Photoelectrons Seeds Spectrum analysis TGMin
Online-Zugang:	Volltext
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