Potential Scaling in Density Functional Theory

2009/06/01 by Peter Elliott, Kieron Burke, Elliott, Peter +1
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Solid-state spectroscopy and crystallography #Spectroscopy and Quantum Chemical Studies #cond-mat.other

paper · pdf · doi:10.48550/arxiv.0906.0340

7 pages, 3 figures

arxiv created 2009/06/01 · arxiv updated 2009/12/01

Abstract

Density scaling has a rich history in density functional theory, providing exact conditions for use in the construction of ever more accurate approximations to the unknown exchange-correlation functional. We define a conjugate potential scaling for each density scaling. This provides exact relations on various important density functionals, in particular, relating functionals evaluated on exact densities of different potentials. We illustrate these conditions on the two- and four-electron ion series.

Related

• Generalized gradient approximations to density functional theory: comparison with exact results
• Density Functionals based on the mathematical structure of the strong-interaction limit of DFT
• The relationship between the density functional Hartree-plus-exchange-correlation potential for an integer N-electron and (N-1)-electron system
• Density Functional Theory -- an introduction
• Self-Consistent Density-Functional Embedding: a Novel Approach for\n Density-Functional Approximations