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arXiv · 1810.02500

Coulomb exchange functional with generalized gradient approximation for self-consistent Skyrme Hartree-Fock calculations

Tomoya Naito·Xavier Roca-Maza·Gianluca Colò·Haozhao Liang
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Abstract

We perform the self-consistent Skyrme Hartree-Fock calculation with the Coulomb exchange functional in the form of generalized gradient approximation (GGA). It is found that the Perdew-Burke-Ernzerhof GGA (PBE-GGA) Coulomb exchange functional is able to reproduce the exact-Fock energy for the nuclei in a large region of the nuclear chart with one adjustable parameter. The remaining error of Coulomb exchange energy by the GGA with respect to the exact-Fock energy dominantly comes from the functional-driven error.

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Tomoya Naito, Xavier Roca-Maza, Gianluca Colò, Haozhao Liang. 2019-02-14. Coulomb exchange functional with generalized gradient approximation for self-consistent Skyrme Hartree-Fock calculations. https://doi.org/10.1103/physrevc.99.024309

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