Soler, J.M. Beltran, M.R. Michaelian, K. Garzon, I.L. Ordejon, P. Sanchez-Portal, D. Artacho, E.

Metallic bonding and cluster structure. - 2000. - Vol. 61, no. 8, 15 Feb., No. Art. 5771-80. = Physical Review B: Condensed Matter and Materials Physics


Ab initio calculations
Amorphisation
Atomic clusters
Bonds (chemical)
Density functional theory
Gold
Internal stresses
Metal clusters
Nanostructured materials
Potential energy functions


Metallic bonding
Cluster structure
Many-body semiempirical Gupta potential
Global minimization
First principles density functional calculations
Energy ordering
Local minima
Intermediate-size disordered nanoclusters
Au
Lowest-energy ordered structure
Magic cluster sizes
Compact-ordered structure
Local stress analysis
Amorphization
Pair potentials
Surface bond contraction
Surface bond coordination
Bond length
Coordination disorder
Amorphous structure