Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory

This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described...

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Detalles Bibliográficos
Autores principales: Wills, John M, Eriksson, Olle, Andersson, Per, Delin, Anna, Grechnyev, Oleksiy, Alouani, Mebarek
Lenguaje:eng
Publicado: Springer 2010
Materias:
General Theoretical Physics
Acceso en línea:https://dx.doi.org/10.1007/978-3-642-15144-6
http://cds.cern.ch/record/1339613
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author Wills, John M
Eriksson, Olle
Andersson, Per
Delin, Anna
Grechnyev, Oleksiy
Alouani, Mebarek
author_facet Wills, John M
Eriksson, Olle
Andersson, Per
Delin, Anna
Grechnyev, Oleksiy
Alouani, Mebarek
author_sort Wills, John M
collection CERN
description This book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described and how they are implemented within the basis of linear muffin-tin orbitals. Functionals covered are the local spin density approximation, generalised gradient approximation, self-interaction correction and dynamical mean field theory.
id cern-1339613
institution Organización Europea para la Investigación Nuclear
language eng
publishDate 2010
publisher Springer
record_format invenio
spelling cern-13396132021-04-22T00:56:11Zdoi:10.1007/978-3-642-15144-6http://cds.cern.ch/record/1339613engWills, John MEriksson, OlleAndersson, PerDelin, AnnaGrechnyev, OleksiyAlouani, MebarekFull-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field TheoryGeneral Theoretical PhysicsThis book covers the theory of electronic structure of materials, with special emphasis on the usage of linear muffin-tin orbitals. Methodological aspects are given in detail as are examples of the method when applied to various materials. Different exchange and correlation functionals are described and how they are implemented within the basis of linear muffin-tin orbitals. Functionals covered are the local spin density approximation, generalised gradient approximation, self-interaction correction and dynamical mean field theory.Springeroai:cds.cern.ch:13396132010
spellingShingle General Theoretical Physics
Wills, John M
Eriksson, Olle
Andersson, Per
Delin, Anna
Grechnyev, Oleksiy
Alouani, Mebarek
Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title_full Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title_fullStr Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title_full_unstemmed Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title_short Full-Potential Electronic Structure Method: Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory
title_sort full-potential electronic structure method: energy and force calculations with density functional and dynamical mean field theory
topic General Theoretical Physics
url https://dx.doi.org/10.1007/978-3-642-15144-6
http://cds.cern.ch/record/1339613
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AT delinanna fullpotentialelectronicstructuremethodenergyandforcecalculationswithdensityfunctionalanddynamicalmeanfieldtheory
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