A Monte Carlo study of the classical octopolar solid
- 15 June 1978
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 68 (12) , 5435-5441
- https://doi.org/10.1063/1.435719
Abstract
A Monte Carlo simulation of the effect of temperature on the structure of the classical octopolar solid predicts the existence of three phases. The structures are identical with those predicted by the molecular field method but the transition temperatures are significantly different. Results are also given for the energy, specific, and lattice correlation functions as a function of temperature.Keywords
This publication has 12 references indexed in Scilit:
- Theory of phase transitions in solid methanes. X. Centering around Phase II in solid CH4The Journal of Chemical Physics, 1977
- Collision-broadened linewidths of tetrahedral molecules—III. Dispersion and induction interactionsJournal of Quantitative Spectroscopy and Radiative Transfer, 1975
- Computer study of a classical quadrupole solidThe Journal of Chemical Physics, 1974
- Orientational order and disorder in the solid isotopic methanesPublished by Royal Society of Chemistry (RSC) ,1973
- Long range interaction energies using Gaussian basis sets and a one center methodInternational Journal of Quantum Chemistry, 1972
- COLD NEUTRON SCATTERING BY MOLECULAR LIQUIDS: III. METHANECanadian Journal of Physics, 1967
- Molecular multipole momentsMolecular Physics, 1966
- Thermodynamic Properties of CH4 and CD4. Interpretation of the Properties of the SolidsThe Journal of Chemical Physics, 1963
- Theory of Long-Range Interatomic Forces. I. Dispersion Energies between Unexcited AtomsPhysical Review B, 1961
- Theory of Phase Transitions in Solid Heavy MethaneThe Journal of Chemical Physics, 1959