Scalable correlated electronic structure theory
نویسندگان
چکیده
منابع مشابه
Electronic Structure of Highly Correlated Structures
Threedifferent butrelated problemsam discussed inthiscontribution, allrelated to theso.called Anderson, Hubbard,and t-J Hamiltonians -theprototype Hamiltonians forsystemswithhighlycorrelated lectrons: (1)The relationship -basedon thewell known canonical (Schrieffer-Wolff) transformation --.betweentheAndersonmodel(inthe small.hybridization and large.Coulomb-interaction regime) and the local mome...
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We compute the electronic structure, momentum resolved spectral function and optical conductivity of the new superconductor LaO1-xFxFeAs within the combination of the density functional theory and dynamical mean field theory. We find that the compound in the normal state is a strongly correlated metal and the parent compound is a bad metal at the verge of the metal insulator transition. We argu...
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Electronic Structure Theory describes the motions of electrons in atoms or molecules. Generally this is done in the context of the Born-Oppenheimer Approximation, which says that electrons are so much lighter (and therefore faster) than nuclei that they will find their optimal distribution for any given nuclear configuration. The electronic energy at each nuclear configuration is the potential ...
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Density functional theory (DFT) is a successful theory to calculate the electronic structure of atoms, molecules, and solids. Its goal is the quantitative understanding of materials properties from the fundamental laws of quantum mechanics. Traditional electronic structure methods attempt to find approximate solutions to the Schrödinger equation of N interacting electrons moving in an external,...
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These are introductory lectures to some aspects of the physics of strongly correlated electron systems. I first explain the main reasons for strong correlations in several classes of materials. The basic principles of dynamical mean-field theory (DMFT) are then briefly reviewed. I emphasize the formal analogies with classical mean-field theory and density functional theory, through the construc...
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ژورنال
عنوان ژورنال: Journal of Physics: Conference Series
سال: 2006
ISSN: 1742-6588,1742-6596
DOI: 10.1088/1742-6596/46/1/032