Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential-Reference-Cited by-同舟云学术

Generalized gradient approximation exchange energy functional with correct asymptotic behavior of the corresponding potential

Published:2015-02-04 Issue:5 Volume:142 Page:054105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Carmona-Espíndola Javier¹,Gázquez José L.¹²,Vela Alberto²,Trickey S. B.³^ORCID

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana-Iztapalapa, Av. San Rafael Atlixco 186, México D. F. 09340, México

2. Departamento de Química, Centro de Investigación y de Estudios Avanzados, Av. Instituto Politécnico Nacional 2508, México D. F. 07360, México

3. Quantum Theory Project, Department of Physics and Department of Chemistry, University of Florida, P.O. Box 118435, Gainesville, Florida 32611-8435, USA

Funder

U.S. Department of Energy (DOE)

Consejo Nacional de Ciencia y Tecnología (National Council of Science and Technology, Mexico)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4906606

Reference135 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. R. G. Parr and W. T. Yang, Density-Functional Theory of Atoms and Molecules (Oxford University Press, New York, 1989).

4. R. M. Dreizler and E. K. U. Gross, Density Functional Theory (Springer, Berlin, 1990).

5. J. P. Perdew and S. Kurth, in A Primer in Density Functional Theory, edited by C. Fiolhais, F. Nogueira, and M. A. L. Marques (Springer, Berlin, 2003), p. 1.

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