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

机译:用于原子核的库仑能量密度函数的应用:局部密度近似和广义梯度近似的案例研究

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摘要

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 He-4 to around 2.2% in Pb-208, 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.
机译:我们在局部密度近似(LDA)中的原子核和广义梯度近似(GGA)测试电子系统的库仑交换和相关能量密度函数。 对于Exchange Coulomb能量,发现LDA和GGA之间的偏差在PB-208中偏离HE-4至约2.2%的约为2.2%,以PERDEW-Burke-Ernzerhof(PBE)函数为例 GGA。 对于相关库仑能量,表明电子系统的那些功能不适用于原子核。

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