The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Density Functional for Hard Sphere Crystals: A Fundamental Measure Approach
Abstract
A new free energy density functional for hard spheres is presented, along the lines of the fundamental measure theory, which reproduces the Percus-Yevick equation of state and direct correlation function for the fluid, with a tensor weighted density. The functional, based on the zero-dimension limit, is exact for any one-dimensional density distribution of the spheres. The application to the hard sphere crystals gives excellent results, solving all of the qualitative problems of previous density functional approximations, including the unit cell anisotropy in the fcc lattice and the description of the metastable bcc lattice.
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Citations
Cites
Analysis of Classical Statistical Mechanics by Means of Collective Coordinates
Percus, J. K., & Yevick, G. J. (1958) · Physical Review · doi:10.1103/physrev.110.1 · Cited by 2,856
Evans, R. (1979) · Advances in Physics · doi:10.1080/00018737900101365 · Cited by 2,681
Exact Solution of the Percus-Yevick Integral Equation for Hard Spheres
Wertheim, M. S. (1963) · Physical Review Letters · doi:10.1103/physrevlett.10.321 · Cited by 1,783
Rosenfeld, Y. (1989) · Physical Review Letters · doi:10.1103/physrevlett.63.980 · Cited by 1,614
Equation of State for Hard Spheres
Thiele, E. (1963) · The Journal of Chemical Physics · doi:10.1063/1.1734272 · Cited by 1,142
Free-energy density functional for hard spheres
Tarazona, P. (1985) · Physical Review A · doi:10.1103/physreva.31.2672 · Cited by 1,065
Self-citationFirst-principles order-parameter theory of freezing
Ramakrishnan, T. V., & Yussouff, M. (1979) · Physical review. B, Condensed matter · doi:10.1103/physrevb.19.2775 · Cited by 1,017
A molecular theory for the solid–liquid interface
Haymet, A. D. J., & Oxtoby, D. W. (1981) · The Journal of Chemical Physics · doi:10.1063/1.441326 · Cited by 450
Rosenfeld, Y. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464569 · Cited by 407
Kierlik, E., & Rosinberg, M. L. (1990) · Physical Review A · doi:10.1103/physreva.42.3382 · Cited by 369
Cited by
Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version
Roth, R., Evans, R., Lang, A., & Kahl, G. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/46/313 · Cited by 677
Nakano, M., Fujita, H., Takahata, M., & Yamaguchi, K. (2002) · Journal of the American Chemical Society · doi:10.1021/ja0115969 · Cited by 405
Emmerich, H., Löwen, H., Wittkowski, R., Gruhn, T., Tóth, G. I., Tegze, G., & Gránásy, L. (2012) · Advances in Physics · doi:10.1080/00018732.2012.737555 · Cited by 364
Martin-Jimenez, D., Chacon, E., Tarazona, P., & Garcia, R. (2016) · Nature Communications · doi:10.1038/ncomms12164 · Cited by 198
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Metadata
- Authors
- Tarazona, P.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 2000-01-24
- Volume
- 84
- Issue
- 4
- Pages
- 694-697
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2011542814
- Cited by
- 276
- References
- 11
- FWCI
- 16.82
- Type
- journal article
- Language
- en
- Open access
- closed
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