Gravitational smoothing as a global optimization strategy

✍ Scribed by T. W. Whitfield; John E. Straub

• Book ID: 102305038
• Publisher: John Wiley and Sons
• Year: 2002
• Tongue: English
• Weight: 66 KB
• Volume: 23
• Category: Article
• ISSN: 0192-8651
• DOI: 10.1002/jcc.10106

✦ Synopsis

Abstract

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. © 2002 Wiley Periodicals, Inc. J Comput Chem 11: 1100–1103, 2002