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...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awdur: Doye, J
Fformat: Journal article
Iaith:English
Cyhoeddwyd: American Inst of Physics 2000