Garzon, I.L. Kaplan, I.G. Santamaria, R. Novaro, O.
Molecular dynamics study of the Ag/sub 6/ cluster using an ab initio many-body model potential.
- 1998.
- Vol. 109, no. 6, 8 Aug., pp. 2176-2184.
= Journal of Chemical Physics
Ab initio calculations Atomic clusters Isomerisation Many-body problems Metal clusters Molecular dynamics method Potential energy surfaces Silver
Molecular dynamics study Ag/sub 6/ cluster ab initio many-body model potential ab initio energy surfaces Many-body nonadditive effects Structural properties Dynamical properties Two-dimensional isomers C/sub 2u/ symmetry C/sub 2h/ symmetry Potential surface Simulated quenching technique Thermal stability Cluster temperature Two-step isomerization Cluster configurations Cluster fragmentation Dimer evaporation 300 K 500 K