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9783540922285: Quantal Density Functional Theory II: Approximation Methods and Applications

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This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy - the Correlation-Kinetic effects - are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces.

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This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy -- the Correlation-Kinetic effects --  are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces.

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  • VerlagSpringer
  • Erscheinungsdatum2009
  • ISBN 10 3540922288
  • ISBN 13 9783540922285
  • EinbandTapa dura
  • SpracheEnglisch
  • Anzahl der Seiten446
  • Kontakt zum HerstellerNicht verfügbar

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9783642425417: Quantal Density Functional Theory II: Approximation Methods and Applications

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ISBN 10:  3642425410 ISBN 13:  9783642425417
Verlag: Springer, 2014
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Viraht Sahni
ISBN 10: 3540922288 ISBN 13: 9783540922285
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Zustand: Sehr gut. Zustand: Sehr gut | Seiten: 444 | Sprache: Englisch | Produktart: Bücher. Artikel-Nr. 4946433/12

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Buch. Zustand: Neu. Neuware -In my original proposal to Springer for a book on Quantal Density Functional Theory, I had envisaged one that was as complete in its presentation as possible, describing the basic theory as well as the approximation methods and a host of applications. However,after workingon the bookforabout ve years, I realizedthat the goal was too ambitious, and that I would be writing for another ve years for it to be achieved. Fortunately,there was a natural breakin the material, and I proposed to my editor, Dr. Claus Ascheron, that we split the book into two components: the rst on the basic theoretical framework, and the second on approximation methods and applications. Dr. Ascheron consented, and I am thankful to him for agreeing to do so. Hence, we published Quantal Density Functional Theory in 2004, and are now publishing Quantal Density Functional Theory II: Approximation Methods and Applications. One signi cant advantage of this, as it turns out, is that I have been able to incorporate in each volume the most recent understandings available. This volume, like the earlier one, is aimed at advanced undergraduates in physics and chemistry, graduate students and researchers in the eld. It is written in the same pedagogical style with details of all proofs and numerous gures provided to explain the physics. The book is independent of the rst volume and stands on its own. However, proofs given in the rst volume are not repeated here.Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg 444 pp. Englisch. Artikel-Nr. 9783540922285

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Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This book is on approximation methods and applications of Quantal Density Functional Theory (QDFT), a new local effective-potential-energy theory of electronic structure. What distinguishes the theory from traditional density functional theory is that the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and the correlation contribution to the kinetic energy the Correlation-Kinetic effects are separately and explicitly defined. As such it is possible to study each property of interest as a function of the different electron correlations. Approximations methods based on the incorporation of different electron correlations, as well as a many-body perturbation theory within the context of QDFT, are developed. The applications are to the few-electron inhomogeneous electron gas systems in atoms and molecules, as well as to the many-electron inhomogeneity at metallic surfaces. Artikel-Nr. 9783540922285

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