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Density functional theory of freezing with reference liquid
| Content Provider | Scilit |
|---|---|
| Author | Igloi, F. Hafner, J. |
| Copyright Year | 1986 |
| Description | Journal: Journal of Physics C: Solid State Physics The density functional theory of freezing is reformulated by introducing a reference liquid to describe the thermodynamic properties of the crystalline phase. The density of this liquid, which is a free parameter in the theory, is chosen so that the grand potential of the solid is stationary with respect to this parameter. The introduction of a reference liquid is shown to be equivalent to partial summation of higher-order terms of the perturbation series. The theory is applied to the hard sphere system. The calculated melting parameters as well as the properties of the high-density solid are in very good agreement with Monte Carlo results. |
| Related Links | http://iopscience.iop.org/article/10.1088/0022-3719/19/29/006/pdf |
| Ending Page | 5815 |
| Page Count | 17 |
| Starting Page | 5799 |
| ISSN | 00223719 |
| DOI | 10.1088/0022-3719/19/29/006 |
| Journal | Journal of Physics C: Solid State Physics |
| Issue Number | 29 |
| Volume Number | 19 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 1986-10-20 |
| Access Restriction | Open |
| Subject Keyword | Journal: Journal of Physics C: Solid State Physics Condensed Matter Physics Density Function Theory Monte Carlo Higher Order |
| Content Type | Text |
| Resource Type | Article |
| Subject | Physics and Astronomy Condensed Matter Physics Engineering |
