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Strong coulomb correlations in electronic structure calculations : beyond the local density approximation

Author: V I Anisimov
Publisher: Amsterdam, The Netherlands : Gordon and Breach Science Publishers, ©2000.
Series: Advances in condensed matter science, v. 1.
Edition/Format:   Print book : EnglishView all editions and formats
Summary:
"Materials where electrons shows nearly localized rather than itinerant behaviour, such as the high-temperature superconducting copper oxides, or manganate oxides, are attracting tremendous interest due to their interesting physical properties and potential applications. For these materials, the interaction between electrons, or electron correlation, plays an important role in describing their electronic structure,  Read more...
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Genre/Form: Méthodologie
Document Type: Book
All Authors / Contributors: V I Anisimov
ISBN: 9056991310 9789056991319
OCLC Number: 43031758
Description: xiv, 317 pages : illustrations ; 24 cm.
Contents: Ch. 1. The GW Approximation and Vertex Corrections / Ferdi Aryasetiawan. Theory. Computational Method. Applications. Vertex Corrections: Beyond GW. Self-consistency and Total Energies --
Ch. 2. LDA+U Method: Screened Coulomb Interaction in the Mean-field Approximation / Vladimir I. Anisimov and A.I. Lichtenstein. LDA+U Method: Formulation and Practical Realization. Relationship Between LDA+U and GW Approximation. Localized States: 3d and 4f Orbitals. Mott-Hubbard Insulators. Electron-lattice Interactions: Jahn-Teller Distortions and Polarons. Metal-insulator Transition. Charge and Orbital Ordering. Beyond the Mean-field Approximation: Spectral Properties and Quasiparticle Bands --
Ch. 3. LSDA and Self-Interaction Correction / Takeo Fujiwara, Masao Arai and Yasushi Ishii. Total Energy and Self-Interaction Correction. SIC in Solid Hydrogen and Transition Metal Monoxides. SIC in Rare Earth Metals and Rare Earth Metal Compounds --
Ch. 4. Orbital Functionals in Density Functional Theory: The Optimized Effective Potential Method / T. Grabo, T. Kreibich and S. Kurth / [and others]. The OEP Method, Basic Formalism. Relativistic Generalization of the OEP and KLI Methods. Numerical Results. Beyond the OEP --
A Connection with Many-Body Perturbation Theory.
Series Title: Advances in condensed matter science, v. 1.
Responsibility: edited by Vladimir I. Anisimov.
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Abstract:

In materials where electrons show nearly localized behaviour, interaction between electrons plays a role in describing their electronic structure and the standard methods for the calculation of their  Read more...

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