Calculated High Pressure Properties of Solids Composed of Non-Centrosymmetric Molecules
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The study of structural phase transitions and other thermodynamic properties of solids is an active area of experimental and theoretical research. Essential to this progress are techniques that now make measurements at 100 GPa and at relatively high temperatures routinely available. Advances in calculational skills have also been important. In this report we discuss recent progress in understanding solid N2O and CO, which are particularly interesting because the molecules have no center of symmetry.
KeywordsVirial Coefficient Thermodynamic Average Molecular Charge Distribution Absolute Free Energy High Pressure Transition
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- 1.R. D. Etters, “Simple molecular systems at very high density,” A. Polian et al., eds., Plenum Press, New York (1989).Google Scholar
- 6.R. L. Mills, B. Olinger, D. Cromer, and R. LeSar, J. Chem. Phys. 95, (1991).Google Scholar
- 8.B. Kuchta and R. D. Etters, J. Chem. Phys. 95, (1991).Google Scholar
- 11.J. Dymond and E. Smith, The Virial Coefficients of Gases, Clarendon, Oxford (1969).Google Scholar
- 13.W. Press, B. Flannery, S. Teukolsky, and W. Vetterling, Numerical Recipes, Cambridge, New York (1986).Google Scholar
- 14.I. Krupskii, A. Prokhvatilov, and A. Erenburg, Sov. J. Low Temp. Phys. 6, 569 (1981).Google Scholar