Application of the Englert–Schwinger model to the equation of state and the fullerene molecule

A. Sai Venkata Ramana and S.V.G. Menon

Physica A: Statistical Mechanics and its Applications, 2011, vol. 390, issue 9, 1575-1584

Abstract: The Englert–Schwinger model (ESM) is applied to two problems. One is the calculation of zero-temperature equation of state (EOS) of elements within the spherically symmetric Wigner–Sietz cell approximation. The other is to obtain the equilibrium radius of fullerene molecule using March’s approach [N. H. March, Proc. Camb. Philos. Soc. 48, 665 (1952)]. In each case, the results of the ESM are compared with those of Thomas–Fermi–Dirac (TFD) and Thomas–Fermi–Dirac–Weizsacker (TFDW) models. Zero-temperature equation of state calculations are done for Al and Cu. The results of the ESM show an enormous improvement over those of the TFD model. Also, the ESM is in good agreement with the TFDW model for compressions greater than 2. In the regime of validity of TFDW theory, i.e., compressions greater than 20 and 10 for Al and Cu, respectively, the deviations between the results of the two models are negligible. Hence, the ESM may be used in lieu of the TFDW model for EOS calculations. In the fullerene case, we have obtained the cohesive energy using the models assuming the radius obtained from accurate calculations of the fullerene molecule. We have also obtained the equilibrium radius predicted by each model. The results obtained show that the ESM results are not much of an improvement over the TFD results. This shows that the ESM cannot always improve the results of the TFD model and be a replacement for the TFDW model. However, as in the EOS case, it would give results in good agreement with TFDW results for properties that are dependent on the electron density at the outer reaches of the atom.

Keywords: Englert–Schwinger model; Equation of state; Fullerene (search for similar items in EconPapers)
Date: 2011
References: View complete reference list from CitEc
Citations:

Downloads: (external link)
http://www.sciencedirect.com/science/article/pii/S0378437111000276
Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:390:y:2011:i:9:p:1575-1584

DOI: 10.1016/j.physa.2010.12.046

Access Statistics for this article

Physica A: Statistical Mechanics and its Applications is currently edited by K. A. Dawson, J. O. Indekeu, H.E. Stanley and C. Tsallis

More articles in Physica A: Statistical Mechanics and its Applications from Elsevier
Bibliographic data for series maintained by Catherine Liu ().