Construction of energy density functional for arbitrary spin polarization using functional renormalization group

Article

关键词: EQUATION-OF-STATE;    ELECTRON-GAS;    EXCHANGE PHENOMENA;    NUCLEAR-MATTER;    MONTE-CARLO;    APPROXIMATIONS;   

DOI  :  10.1103/PhysRevB.105.035105

来源: SCIE

【 摘 要 】

We show an application of the functional-renormalization-group aided density functional theory to the homogeneous electron gas with arbitrary spin polarization, which gives an energy density functional in the local spin density approximation. The correlation energy per particle is calculated at arbitrary Wigner-Seitz radius rs and spin polarization zeta. In the high-density region, our result shows good agreement with Monte Carlo (MC) data. The agreement with MC data is better in the case of small spin polarization, while the discrepancy increases as the spin polarization increases. The magnetic properties given by our numerical results are also discussed.

【 授权许可】

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