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Volumn 101, Issue 3, 1997, Pages 310-315

Finding minimum-energy configurations of Lennard-Jones clusters using an effective potential

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; FREE ENERGY;

EID: 0030871520     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9621181     Document Type: Article
Times cited : (27)

References (28)
  • 5
    • 0007720850 scopus 로고
    • Somorjai, R. L. J. Phys. Chem. 1991, 95, 4141. Sylvain, M.; Somorjai, R. L. J. Phys. Chem. 1991, 95, 4147.
    • (1991) J. Phys. Chem. , vol.95 , pp. 4141
    • Somorjai, R.L.1
  • 7
    • 0000911717 scopus 로고
    • J. Phys. Chem. 1992, 96, 4672. Olszewski, K. A.; Piela, L.; Scheraga, H. A. J. Phys. Chem. 1993, 97, 260.
    • (1992) J. Phys. Chem. , vol.96 , pp. 4672
  • 21
    • 85033278629 scopus 로고    scopus 로고
    • note
    • This ansatz describes a one-dimensional one-particle state. It is easliy generalized to higher dimensions and more particles. We will use the ID case for illustration only.
  • 22
    • 85033300245 scopus 로고    scopus 로고
    • note
    • 18 This formula was obtained from extrapolation, using the exactly known results for N= 2 to N = 13.
  • 26
    • 85033319521 scopus 로고    scopus 로고
    • note
    • The confining term is introduced only for calculational convenience. Normally, an infinitesimal value of A should already keep the clusters from dissociating, but for numerical stability λ should be chosen larger.


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