Dimerization of argon and the properties of its small clusters

详细

Statistical thermodynamic means are used to study the bound state of a small cluster A_N (2 ≤ N ≤ 5) of Lennard-Jones particles in a spherical cavity. The statistical sum is calculated by the Monte Carlo method. For the dimer, integration is reduced to quadratures. The integration region contains only phase space points corresponding to the bound cluster state. Dimerization constant 2A = A₂ is calculated via the probability of finding a molecule in the bound state using the example of argon.