The derivative discontinuity of the exchange–correlation functional-Reference-Cited by-同舟云学术

The derivative discontinuity of the exchange–correlation functional

Published:2014 Issue:28 Volume:16 Page:14378-14387
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mori-Sánchez Paula¹²³,Cohen Aron J.⁴⁵⁶

Affiliation:

1. Departamento de Química and Instituto de Física de la Materia Condensada (IFIMAC)

2. Universidad Autónoma de Madrid

3. Madrid, Spain

4. Department of Chemistry

5. University of Cambridge

6. Cambridge, UK

Abstract

Manifestations of the derivative discontinuity of the energy in density functional theory are demonstrated in simple systems in chemistry and physics.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01170H

Reference94 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Note on Exchange Phenomena in the Thomas Atom

4. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

5. Accurate and simple analytic representation of the electron-gas correlation energy

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