Accurate correlation energy functional for uniform electron gas from an interpolation ansatz without fitting parameters
نویسندگان
چکیده
We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is Seitz radius or density parameter and zeta relative spin polarization. The new functional, called W20, constructed to capture known high-density low-density limit (for = 0 1) without any fitting parameters. comparative assessment against recent quantum Monte Carlo (QMC) results shows that performance W20 functional comparable popular parametrized UEG functionals. On average, agrees with QMC PW92 [Phys. Rev. B 45, 13244 (1992)] within 0.01 eV, recovers correct high- limits, whereas QMC-data fitted functionals do not.
منابع مشابه
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.103.045130