Uniform electron gases. II. The generalized local density approximation in one dimension
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 have performed density-functional calculations for III-V nitrides using the pseudopotential plane-wave method where the d states of the Ga and In atoms are included as valence states. Results obtained using both the local-density approximation ~LDA! and the generalized gradient approximation ~GGA! for the exchangecorrelation functional are compared. Bulk properties, including lattice constan...
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Tlie process o f random sequential adsorption in one dimension is gencralizcd BO that the rate at which a particle is placed in an empty space is dependent on the size o f thc space being destroyed and on^ the sizcs,of lhe two spacer crcated on either side of thc particle. We write down the equation for lhis process involving p ( r ) , the probability o f choosing lo deposit a particle of size ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4867910