- Autor(in)
- Referenz
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- Seitenbereich
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0033 - 0052
- Zusammenfsg.
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A crystal is described by a probability density which is not symmetric regarding the interchange of phase-space coordinates between two molecules. The set of approximate equations for one-particle distribution functions with many-body forces is derived from the L<small>IOUVILLE</small> equation. The expression for the H<small>ELMHOLTZ</small> free energy and the equation of state are obtained. The developed method is applied to the determination of the thermodynamic properties of crystalline argon, krypton, and xenon. The nearest-neighbor distances, internal energies, isothermal and adiabatic compressibilities, linear thermal expansion coefficients, specific heats <I>C</I><sub><I>v</I></sub> and <I>C</I><sub><I>p</I></sub> are calculated using the pair potentials of B<small>ARKER</small>-P<small>OMPE</small>, of B<small>ARKER</small>-B<small>OBETIC</small>, and of L<small>ENNARD</small>-J<small>ONES</small>, together with the A<small>XILROD</small>-T<small>ELLER</small> three-body potential. The obtained results are compared with the experimental data and discussed.
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- Forschungsartikel