Abstract
Two-dimensional (2D) inhomogeneous electron assemblies are becoming increasingly important in Condensed Matter and associated technologies. Here, therefore, we contribute to the Density Functional Theory of such 2D electronic systems by calculating, analytically, (i) the idempotent Dirac density matrix γ(r, r′) generated by two closed shells for the bare Coulomb potential −Ze 2/r and (ii) the exchange energy density \({\varepsilon_x({\bf r})}\) . Some progress is also possible concerning the exchange potential V x (r), one non-local approximation being the Slater potential \({2\varepsilon_x(r)/n(r)}\) , with n(r) the ground state electron density. However, to complete the theory of V x (r), the functional derivative of the single-particle kinetic energy per unit area δt(s)/δn(r) is still required.
Similar content being viewed by others
References
Parr R.G., Yang W.: Density Functional Theory of Atoms and Molecules. Oxford University Press, New York (1989)
Dirac P.A.M.: Proc. Camb. Phil. Soc. 26, 376 (1930)
Slater J.C.: Phys. Rev. 81, 385 (1951)
Kohn W., Sham L.J.: Phys. Rev. 140, A1133 (1965)
Howard I.A., March N.H., Senet P., van Doren V.E.: Phys. Rev. A 62, 06512 (2000)
B. Zaslow, M.E. Zandler, Am. J. Phys. 35, 1118 (1967). The subscript on the Laguerre polynomial in the wave function should be n − |ℓ| − 1
Glasser M.L., Boersma J.: SIAM J. Appl. Math. 43, 535 (1983)
March N.H., Howard I.A., Holas A., Senet P., Van Doren V.E.: Phys. Rev. A 63, 012520 (2000)
Theophilou A.K., March N.H.: Phys. Rev. A 34, 3680 (1986)
Dittrich W.: Am. J. Phys. 67, 768 (1999)
Glasser M.L.: J. Res. NBS 80B, 313 (1976)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Glasser, M.L., March, N.H. & Nieto, L.M. Exchange energy for two closed shells generated by a bare Coulomb potential energy −Ze 2/r in the limit of large Z, in two dimensions. J Math Chem 47, 1313–1322 (2010). https://doi.org/10.1007/s10910-009-9656-8
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s10910-009-9656-8