Effect of compression on the global optimization of atomic clusters

Effect of compression on the global optimization of atomic clusters

The optimization of atomic clusters by transformation of potential energy was discussed. The method showed the reduction of transition states on potential energy surfaces (PES). The Lennard-Jones clusters were optimized by a double funnel topography. The stationary points were reduced on PES in the...

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Dettagli Bibliografici
Autore principale:	Doye, J
Natura:	Journal article
Lingua:	English
Pubblicazione:	American Inst of Physics 2000

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