Gravitational smoothing as a global optimization strategy.
An optimization scheme for atomic cluster structures, based on exaggerating the importance of the gravitational force, is introduced. Results are presented for calculations on Lennard-Jones clusters of 13, 38, and 55 atoms, and the 13-atom Morse cluster.
Department of Chemistry, Boston University, Boston, Massachusetts 02215, USA.
T W
TW
Whitfield
John E
JE
Straub