New quadratic nondifferential Thomas-Fermi-Dirac-type equation for atoms

B. M. Deb and P. K. Chattaraj
Phys. Rev. A 37, 4030 – Published 1 May 1988
PDFExport Citation

Abstract

This paper reports the first quadratic, nondifferential, and self-consistent solution to a Thomas-Fermi-Dirac(TFD)-type equation for many-electron atoms. The essential feature in the Euler-Lagrange equation is the inclusion of a ‘‘first-gradient’’ correction to the TF kinetic energy, which leads to chemical binding in molecules and solids. The calculations are easier to perform than other TFD-type calculations, while the radial density and energy obtained compare very well with similar calculations.

  • Received 5 January 1988

DOI:https://doi.org/10.1103/PhysRevA.37.4030

©1988 American Physical Society

Authors & Affiliations

B. M. Deb and P. K. Chattaraj

  • Theoretical Chemistry Group, Department of Chemistry, Panjab University, Chandigarh 160 014, India

References (Subscription Required)

Click to Expand
Issue

Vol. 37, Iss. 10 — May 1988

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review A

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×