Quantal Density Functional Theory

Nonfiction, Science & Nature, Science, Physics, Mathematical Physics, Chemistry, General Chemistry
Cover of the book Quantal Density Functional Theory by Viraht Sahni, Springer Berlin Heidelberg
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Viraht Sahni ISBN: 9783662498422
Publisher: Springer Berlin Heidelberg Publication: August 12, 2016
Imprint: Springer Language: English
Author: Viraht Sahni
ISBN: 9783662498422
Publisher: Springer Berlin Heidelberg
Publication: August 12, 2016
Imprint: Springer
Language: English

This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter.  The time-independent QDFT constitutes a special case.  The 2nd edition describes the further development of the theory, and extends it to include the presence of an external magnetostatic field.  The theory is based on the ‘quantal Newtonian’ second and first laws for the individual electron.  These laws are in terms of ‘classical’ fields that pervade all space, and their quantal sources.  The fields are separately representative of the electron correlations that must be accounted for in local potential theory.  Recent developments show that irrespective of the type of external field the electrons are subject to, the only correlations beyond those due to the Pauli exclusion principle and Coulomb repulsion that need be considered are solely of the correlation-kinetic effects.  Foundational to QDFT, the book describes Schrödinger theory from the new perspective of the single electron in terms of the ‘quantal Newtonian’ laws.  Hohenberg-Kohn density functional theory (DFT), new understandings of the theory and its extension to the presence of an external uniform magnetostatic field are described.  The physical interpretation via QDFT, in terms of electron correlations, of Kohn-Sham DFT, approximations to it and Slater theory are provided.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

This book is on quantal density functional theory (QDFT) which is a time-dependent local effective potential theory of the electronic structure of matter.  The time-independent QDFT constitutes a special case.  The 2nd edition describes the further development of the theory, and extends it to include the presence of an external magnetostatic field.  The theory is based on the ‘quantal Newtonian’ second and first laws for the individual electron.  These laws are in terms of ‘classical’ fields that pervade all space, and their quantal sources.  The fields are separately representative of the electron correlations that must be accounted for in local potential theory.  Recent developments show that irrespective of the type of external field the electrons are subject to, the only correlations beyond those due to the Pauli exclusion principle and Coulomb repulsion that need be considered are solely of the correlation-kinetic effects.  Foundational to QDFT, the book describes Schrödinger theory from the new perspective of the single electron in terms of the ‘quantal Newtonian’ laws.  Hohenberg-Kohn density functional theory (DFT), new understandings of the theory and its extension to the presence of an external uniform magnetostatic field are described.  The physical interpretation via QDFT, in terms of electron correlations, of Kohn-Sham DFT, approximations to it and Slater theory are provided.

More books from Springer Berlin Heidelberg

Cover of the book Phasenkontrast-Mikroskopie in der Frauenarztpraxis by Viraht Sahni
Cover of the book High-Voltage Test and Measuring Techniques by Viraht Sahni
Cover of the book Operative Urology II by Viraht Sahni
Cover of the book Wertorientiertes Risikomanagement von Versicherungsunternehmen by Viraht Sahni
Cover of the book Die zivilrechtliche Haftung für Fehler von Ethikkommissionen by Viraht Sahni
Cover of the book Social Security and Economic Globalization by Viraht Sahni
Cover of the book Sectional Fetal Anatomy in Ultrasound by Viraht Sahni
Cover of the book Electronic Structure and Number Theory by Viraht Sahni
Cover of the book Tensor Analysis and Elementary Differential Geometry for Physicists and Engineers by Viraht Sahni
Cover of the book Stryer Biochemie by Viraht Sahni
Cover of the book Pediatric and Adult MRI Atlas of Bone Marrow by Viraht Sahni
Cover of the book Finite Element Methods in Linear Ideal Magnetohydrodynamics by Viraht Sahni
Cover of the book Die Entdeckung des Unteilbaren by Viraht Sahni
Cover of the book Elektrische Maschinen by Viraht Sahni
Cover of the book CSR und Organisationsentwicklung by Viraht Sahni
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy