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Analysis of Thermodynamics of Liquid d- and f-Shell Metals with the Variational Approach |
| J. K. Baria |
| V. P. & R. P. T. P. Science College, Vallabh Vidyanagar-388 120, Gujarat, India |
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| Cite this article: |
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J. K. Baria 2003 Chin. Phys. Lett. 20 894-896 |
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Abstract We use recently proposed potential to calculate internal energy (enthalpy), entropy and Helmholtz free energy of liquid d- and f-Shell metals with the variational approach. The parameter of the potential is determined with the standard zero pressure condition along with well established Taylor screening function for exchange and correlation effects to the liquid d- and f-Shell metals. Here we clearly mention that the parameter of the potential is independent of any fitting procedure either with any experimental data or any theoretical values of any physical properties. The structure factor derived by Percus-Yevick solution for hard sphere fluids, which is characterized by hard sphere diameter, is used. A good agreement between theoretical investigations and experimental findings has confirmed the ability of the model potential to the liquid d- and f-Shell metals.
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| Keywords:
65.40.Gr
71.15.Dx
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Published: 01 June 2003
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| PACS: |
65.40.Gr
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71.15.Dx
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(Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))
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