Growth of equilibrium clusters of Lennard-Jones molecules
β Scribed by A.C. Reardon; D.J. Quesnel
- Publisher
- Elsevier Science
- Year
- 1989
- Tongue
- English
- Weight
- 338 KB
- Volume
- 83
- Category
- Article
- ISSN
- 0021-9991
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π SIMILAR VOLUMES
In the interests of carrying out computer simulations efficiently for systems of rodlike molecules, the model proposed by Berne and coworkers, in which each rod is represented by an anisotropic Lennard-Jones potential, was extensively compared with a site-site model. Using this potential, Monte Car1
## Abstract A highly efficient unbiased global optimization method called dynamic lattice searching (DLS) was proposed. The method starts with a randomly generated local minimum, and finds better solution by a circulation of construction and searching of the dynamic lattice (DL) until the better so
## Solid-liquid coexistence in the Lennard-Jones syswm is examined using the densily runclional theory of freezing. Gd agreement is round with the results of cornpurer simulations and real experiments on argon.
An approximate cxprcssion for the eigenvalucs for van dcr Waals molecules by USC of the Lennard-Jones (I 2-6) potcntial in the WKB approximation is presented. The expression is applied to the rare. pas molecules Arz, Kr2, and XQ by fitting the potential function to the observed potential parameters.
## Abstract A variation of the previous dynamic lattice searching (DLS) method, named as DLS with constructed core (DLSc), was proposed for structural optimization of LennardβJones (LJ) clusters. In the new method, the starting random structure is generated with an icosahedron or a decahedron as a