GROUND-STATE CONFIGURATIONS OF MODEL MOLECULAR CLUSTERS

We have determined the ground state configurations of model molecular dipolar clusters using Monte Carlo simulations. Cluster sizes ranged f rom N=3 to N=20. The molecular models consisted of spherically symmetr ic hard sphere or Lennard-Jones interactions, as well as dipole-dipole , dipole-quadrupole, and quadrupole-quadrupole interactions. Molecular polarizability was also included in some calculations. We first found the ground state configurations of dipolar hard sphere clusters, and then systematically increased the quadrupole moment and molecular pola rizability from zero up to typical values for small molecules. The rel evance of our results to real molecular clusters is discussed.