2018Physical Review COpen access

Application of a Coulomb energy density functional for atomic nuclei: Case studies of local density approximation and generalized gradient approximation

Tomoya Naito, Ryosuke Akashi, Haozhao Liang

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Abstract

We test the Coulomb exchange and correlation energy density functionals of electron systems for atomic nuclei in the local density approximation (LDA) and the generalized gradient approximation (GGA). For the exchange Coulomb energies, it is found that the deviation between the LDA and GGA ranges from around 11% in $^{4}\mathrm{He}$ to around 2.2% in $^{208}\mathrm{Pb}$, by taking the Perdew-Burke-Ernzerhof (PBE) functional as an example of the GGA. For the correlation Coulomb energies, it is shown that those functionals of electron systems are not suitable for atomic nuclei.

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What this paper is about

We test the Coulomb exchange and correlation energy density functionals of electron systems for atomic nuclei in the local density approximation (LDA) and the generalized gradient approximation (GGA). For the exchange Coulomb energies, it is found that the deviation between the LDA and GGA ranges from around 11% in $^{4}\mathrm{He}$ to around 2.2% in $^{208}\mathrm{Pb}$, by taking the Perdew-Burke-Ernzerhof (PBE) functional as an example of the GGA. For the correlation Coulomb energies, it is shown that those functionals of electron systems are not suitable for atomic nuclei.

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Available abstract

We test the Coulomb exchange and correlation energy density functionals of electron systems for atomic nuclei in the local density approximation (LDA) and the generalized gradient approximation (GGA). For the exchange Coulomb energies, it is found that the deviation between the LDA and GGA ranges from around 11% in $^{4}\mathrm{He}$ to around 2.2% in $^{208}\mathrm{Pb}$, by taking the Perdew-Burke-Ernzerhof (PBE) functional as an example of the GGA. For the correlation Coulomb energies, it is shown that those functionals of electron systems are not suitable for atomic nuclei.

Key concepts: Coulomb, Local-density approximation, Physics, Electron, Density functional theory, Atomic physics, Hybrid functional, Electric potential energy

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