Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /

Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /

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Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

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Main Authors: Ellis, D. E. editor., SpringerLink (Online service)
Format: Texto biblioteca
Language:eng
Published: Dordrecht : Springer Netherlands : Imprint: Springer, 1996
Subjects:Chemistry., Inorganic chemistry., Physical chemistry., Solid state physics., Spectroscopy., Microscopy., Inorganic Chemistry., Physical Chemistry., Solid State Physics., Spectroscopy and Microscopy.,
Online Access:http://dx.doi.org/10.1007/978-94-011-0487-6
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record_format koha
spelling KOHA-OAI-TEST:1788312018-07-30T22:58:28ZDensity Functional Theory of Molecules, Clusters, and Solids [electronic resource] / Ellis, D. E. editor. SpringerLink (Online service) textDordrecht : Springer Netherlands : Imprint: Springer,1996.engRapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.1. Fermi Holes and Coulomb Holes -- 2. Nonlocal Density Functionals for Exchange and Correlation: Theory and Applications -- 3. The Application of Nonlocal and Self-Consistent Density Functional Theory to Molecular Problems -- 4. Density Functional Calculations on Special Clusters -- 5. Clusters and Cluster Reactions -- 6. LDF Electronic Structure of Fullerene Tubules -- 7. Electronic Structure of Solid-State Systems Via the Divide-and-Conquer Method -- 8. Local Density Calculation of the Optical Properties of Insulators -- 9. Defect Structure of Solids -- 10. Embedded Clusters: A Viable Approach for Surfaces and Impurities.Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.Chemistry.Inorganic chemistry.Physical chemistry.Solid state physics.Spectroscopy.Microscopy.Chemistry.Inorganic Chemistry.Physical Chemistry.Solid State Physics.Spectroscopy and Microscopy.Springer eBookshttp://dx.doi.org/10.1007/978-94-011-0487-6URN:ISBN:9789401104876
institution COLPOS
collection Koha
country México
countrycode MX
component Bibliográfico
access En linea
En linea
databasecode cat-colpos
tag biblioteca
region America del Norte
libraryname Departamento de documentación y biblioteca de COLPOS
language eng
topic Chemistry.
Inorganic chemistry.
Physical chemistry.
Solid state physics.
Spectroscopy.
Microscopy.
Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Solid State Physics.
Spectroscopy and Microscopy.
Chemistry.
Inorganic chemistry.
Physical chemistry.
Solid state physics.
Spectroscopy.
Microscopy.
Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Solid State Physics.
Spectroscopy and Microscopy.
spellingShingle Chemistry.
Inorganic chemistry.
Physical chemistry.
Solid state physics.
Spectroscopy.
Microscopy.
Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Solid State Physics.
Spectroscopy and Microscopy.
Chemistry.
Inorganic chemistry.
Physical chemistry.
Solid state physics.
Spectroscopy.
Microscopy.
Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Solid State Physics.
Spectroscopy and Microscopy.
Ellis, D. E. editor.
SpringerLink (Online service)
Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
description Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
format Texto
topic_facet Chemistry.
Inorganic chemistry.
Physical chemistry.
Solid state physics.
Spectroscopy.
Microscopy.
Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Solid State Physics.
Spectroscopy and Microscopy.
author Ellis, D. E. editor.
SpringerLink (Online service)
author_facet Ellis, D. E. editor.
SpringerLink (Online service)
author_sort Ellis, D. E. editor.
title Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
title_short Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
title_full Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
title_fullStr Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
title_full_unstemmed Density Functional Theory of Molecules, Clusters, and Solids [electronic resource] /
title_sort density functional theory of molecules, clusters, and solids [electronic resource] /
publisher Dordrecht : Springer Netherlands : Imprint: Springer,
publishDate 1996
url http://dx.doi.org/10.1007/978-94-011-0487-6
work_keys_str_mv AT ellisdeeditor densityfunctionaltheoryofmoleculesclustersandsolidselectronicresource
AT springerlinkonlineservice densityfunctionaltheoryofmoleculesclustersandsolidselectronicresource
_version_ 1756264465596153856

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