Correction to “Embedded Cluster Density Approximation for Exchange–Correlation Energy: A Natural Extension of the Local Density Approximation”
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...
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While the Local Density Approximation LDA+U method is well established for Mott insualtors with well localized orbitals, its application to weakly correlated metals is questionable. By extending the Stoner approach to LDA+U, we show that LDA+U enhances the Stoner factor, while reducing the density of states. The most important correlation effects in metals, fluctuation induced mass renormalizat...
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We propose approximations which go beyond the local-density approximation for the short-range exchange and correlation density functionals appearing in a multideterminantal extension of the Kohn-Sham scheme. A first approximation consists of defining locally the range of the interaction in the correlation functional. Another approximation, more conventional, is based on a gradient expansion of ...
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The spectral function for finite nuclei is computed within the framework of the Local Density Approximation, starting from nuclear matter spectral functions obtained with a realistic nucleon-nucleon interaction. The spectral function is decomposed into a single-particle part and a " correlated " part; the latter is treated in the local density approximation. As an application momentum distribut...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2019
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.9b01007