Generalized local-density approximation and one-dimensional finite uniform electron gases
نویسندگان
چکیده
منابع مشابه
Generalized Local Density Approximation Uniform Electron Gases . II . The Generalized Local Density Approximation in One Dimension
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius rs and a two-electron hole curvature parameter η at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, is is also exact for finite uniform electron gas...
متن کاملUniform electron gases. II. The generalized local density approximation in one dimension.
We introduce a generalization (gLDA) of the traditional Local Density Approximation (LDA) within density functional theory. The gLDA uses both the one-electron Seitz radius rs and a two-electron hole curvature parameter η at each point in space. The gLDA reduces to the LDA when applied to the infinite homogeneous electron gas but, unlike the LDA, it is also exact for finite uniform electron gas...
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By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e., the surface of a four-dimensional ball. In the VMC calculations, we compare the efficacies of two types of one-electron basis functions for these strongly corre...
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We show that the expression of the high-density (i.e., small-r(s)) correlation energy per electron for the one-dimensional uniform electron gas can be obtained by conventional perturbation theory and is of the form ε(c)(r(s)) = -π(2)/360 + 0.00845r(s) + ..., where r(s) is the average radius of an electron. Combining these new results with the low-density correlation energy expansion, we propose...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2014
ISSN: 1050-2947,1094-1622
DOI: 10.1103/physreva.89.052523