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Full-Potential Electronic Structure Method - John M. Wills
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
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John M. Wills:
Full-Potential Electronic Structure Method - neues Buch

2010, ISBN: 9783642151439

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally exible, the code required experience to be used e ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e ect of new models. -, [SC: 0.00]

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Full-Potential Electronic Structure Method - John M. Wills
Vergriffenes Buch, derzeit bei uns nicht verfügbar.
(*)
John M. Wills:
Full-Potential Electronic Structure Method - neues Buch

2010, ISBN: 9783642151439

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally exible, the code required experience to be used e ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e ect of new models., [SC: 0.00]

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Full-Potential Electronic Structure Method - John M. Wills
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(*)
John M. Wills:
Full-Potential Electronic Structure Method - neues Buch

2, ISBN: 9783642151439

[ED: Buch], [PU: Springer-Verlag GmbH], Neuware - This is a book describing electronic structure theory and application within the framework of a methodology implemented in the computer code RSPt. In 1986, when the code that was to become RSPt was developed enough to be useful, it was one of the rst full-potential, all-electron, relativistic implem- tations of DFT (density functional theory). While RSPt was documented p- asitically in many publications describing the results of its application, it was many years before a publication explicitly describing aspects of the method appeared. In the meantime, several excellent all-electron, full-potential me- ods had been developed, published, and become available. So why a book about RSPt now The code that became RSPt was initially developed as a personal research tool, rather than a collaborative e ort or as a product. As such it required some knowledge of its inner workings to use, and as it was meant to be m- imally exible, the code required experience to be used e ectively. These - tributes inhibited, but did not prevent, the spread of RSPt as a research tool. While applicable across the periodic table, the method is particularly useful in describing a wide range of materials, including heavier elements and c- pounds, and its exibility provides targeted accuracy and a convenient and accurate framework for implementing and assessing the e ect of new models., [SC: 2.00]

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Full-Potential Electronic Structure Method Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory - Wills, John M.; Eriksson, Olle; Andersson, Per; Delin, Anna; Grechnyev, Oleksiy; Alouani, Mebarek
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Wills, John M.; Eriksson, Olle; Andersson, Per; Delin, Anna; Grechnyev, Oleksiy; Alouani, Mebarek:
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2010, ISBN: 3642151434

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Gebundene Ausgabe Mathematik / Physik, Chemie, mit Schutzumschlag neu, [PU:Springer-Verlag GmbH]

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Full-Potential Electronic Structure Method - John M. Wills; Mebarek Alouani; Per Andersson; Anna Delin; Olle Eriksson; Oleksiy Grechnyev
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John M. Wills; Mebarek Alouani; Per Andersson; Anna Delin; Olle Eriksson; Oleksiy Grechnyev:
Full-Potential Electronic Structure Method - gebunden oder broschiert

2010, ISBN: 9783642151439

ID: 14426972

Energy and Force Calculations with Density Functional and Dynamical Mean Field Theory, 2010, Hardcover, Buch, [PU: Springer Berlin]

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Details zum Buch
Full-Potential Electronic Structure Method
Autor:

Wills, John M.; Eriksson, Olle; Andersson, Per; Delin, Anna; Grechnyev, Oleksiy; Alouani, Mebarek

Titel:

Full-Potential Electronic Structure Method

ISBN-Nummer:

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.

Detailangaben zum Buch - Full-Potential Electronic Structure Method


EAN (ISBN-13): 9783642151439
ISBN (ISBN-10): 3642151434
Gebundene Ausgabe
Erscheinungsjahr: 2010
Herausgeber: Springer-Verlag GmbH
197 Seiten
Gewicht: 0,529 kg
Sprache: eng/Englisch

Buch in der Datenbank seit 09.06.2007 03:23:53
Buch zuletzt gefunden am 13.09.2016 08:38:15
ISBN/EAN: 9783642151439

ISBN - alternative Schreibweisen:
3-642-15143-4, 978-3-642-15143-9


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