Bound state properties of the Lennard-Jones 8-6 potential
β Scribed by David Singh; Y.P. Varshni
- Publisher
- Elsevier Science
- Year
- 1985
- Weight
- 275 KB
- Volume
- 132
- Category
- Article
- ISSN
- 0378-4363
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π SIMILAR VOLUMES
Calculations are made of Cs3, &, 8Cs~/&zzt and the A-A stacking fault energy of a graphite crystal using Lennard-Jones potentials between atoms in different layer planes. An estimate is made of aC,,/ae,,. The values of Cs3 and the A-A stacking fault energy are in fair agreement with experiment, but
## AbSl?2lCt The benzene...A.rr cluster was studied by constant energy molecular dynamics simulations. Three different types of intermolecular potential were used; two were based on ab initio data, and the third is the standard empirical6-12 Lennard-Jones potential. The relative populations of the