Quantal Density Functional Theory
DOWNLOAD
Download Quantal Density Functional Theory PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Quantal Density Functional Theory book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Quantal Density Functional Theory
DOWNLOAD
Author : Viraht Sahni
language : en
Publisher: Springer
Release Date : 2016-08-12
Quantal Density Functional Theory written by Viraht Sahni and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-08-12 with Science categories.
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.
Quantal Density Functional Theory Ii
DOWNLOAD
Author : Viraht Sahni
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-10-16
Quantal Density Functional Theory Ii written by Viraht Sahni and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009-10-16 with Science categories.
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.
Quantal Density Functional Theory
DOWNLOAD
Author : Viraht Sahni
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-14
Quantal Density Functional Theory written by Viraht Sahni and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-14 with Science categories.
Density functional theory is an important and widely used tool in many-body physics that has found applications in atomic, molecular, solid-state and nuclear physics. It is used principally to determine the electronic structure of these complex systems. Sahni has developed a new approach, termed quantal density functional theory, which simplifies the process of solving the computational problem and at the same time, gives insight into the underlying quantum mechanics. Further, the book describes Schrödinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT
Schr Dinger Theory Of Electrons Complementary Perspectives
DOWNLOAD
Author : Viraht Sahni
language : en
Publisher: Springer Nature
Release Date : 2022-07-08
Schr Dinger Theory Of Electrons Complementary Perspectives written by Viraht Sahni and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-07-08 with Science categories.
This book presents a complementary perspective to Schrödinger theory of electrons in an electromagnetic field, one that does not appear in any text on quantum mechanics. The perspective, derived from Schrödinger theory, is that of the individual electron in the sea of electrons via its temporal and stationary-state equations of motion – the ‘Quantal Newtonian’ Second and First Laws. The Laws are in terms of ‘classical’ fields experienced by each electron, the sources of the fields being quantum-mechanical expectation values of Hermitian operators taken with respect to the wave function. Each electron experiences the external field, and internal fields representative of properties of the system, and a field descriptive of its response. The energies are obtained in terms of the fields. The ‘Quantal Newtonian’ Laws lead to physical insights, and new properties of the electronic system are revealed. New mathematical understandings of Schrödinger theory emerge which show the equation to be intrinsically self-consistent. Another complimentary perspective to Schrödinger theory is its manifestation as a local effective potential theory described via Quantal Density Functional theory. This description too is in terms of ‘classical’ fields and quantal sources. The theory provides a rigorous physical explanation of the mapping from the interacting system to the local potential theory equivalent. The complementary perspective to stationary ground state Schrödinger theory founded in the theorems of Hohenberg and Kohn, their extension to the presence of a magnetic field and to the temporal domain – Modern Density Functional Theory -- is also described. The new perspectives are elucidated by application to analytically solvable interacting systems. These solutions and other relevant wave function properties are derived.
Density Functional Theory
DOWNLOAD
Author : Reiner M. Dreizler
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Density Functional Theory written by Reiner M. Dreizler and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics. This book describes the conceptual framework of density functional theory and discusses in detail the derivation of explicit functionals from first principles as well as their application to Coulomb systems. Both non-relativistic and relativistic systems are treated. The connection of density functional theory with other many-body methods is highlighted. The presentation is self-contained; the book is, thus, well suited for a graduate course on density functional theory.
Quantal Aspects In Chemistry And Physics A Tribute To The Memory Of Professor Couceiro Da Costa
DOWNLOAD
Author : J. S. Redinha
language : pt-BR
Publisher: Imprensa da Universidade de Coimbra / Coimbra University Press
Release Date : 2011-03-01
Quantal Aspects In Chemistry And Physics A Tribute To The Memory Of Professor Couceiro Da Costa written by J. S. Redinha and has been published by Imprensa da Universidade de Coimbra / Coimbra University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011-03-01 with categories.
Ninety years have ellapsed since the Old Quantum Theory has emerged, and eighty three over the foundations of Modern Quantum Mechanics. Born in 1901, Ruy Gustavo Couceiro da Costa soon became aware of the importance of Quantum Mechanics in Science, particularly in Chemistry. Such a vision has flurished ever since and its presence in the scientific realm is nowadays unquestionable: Physics, Chemistry, Biology, Astronomy, Engineering and even Philosophy, all such areas of knowledge reflect the importance of judgement in accordance with the quantum laws. This book is a result of a Symposium to honor the memory of Professsor Couceiro da Costa for his contribution to the development of Quantum Mechanics in Chemistry and Physics in Portugal.
Advances In Density Functional Theory
DOWNLOAD
Author :
language : en
Publisher: Academic Press
Release Date : 1998-10-27
Advances In Density Functional Theory written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1998-10-27 with Science categories.
Quantum mechanics can describe the detailed structure and behavior of matter, from electrons, atoms, and molecules, to the whole universe. It is one of the fields of knowledge that yield extraordinary precessions, limited only by the computational resources available. Among these methods is density functional theory (DFT), which permits one to solve the equations of quantum mechanics more efficiently than with any related method.The present volume represents the most comprehensive summary currently available in density functional theory and its applications in chemistry from atomic physics to molecular dynamics. DFT is currently being used by more than fifty percent of computational chemists.
Density Functional Theory In Quantum Chemistry
DOWNLOAD
Author : Takao Tsuneda
language : en
Publisher:
Release Date : 2014-03-31
Density Functional Theory In Quantum Chemistry written by Takao Tsuneda and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-03-31 with categories.
A Primer In Density Functional Theory
DOWNLOAD
Author : Carlos Fiolhais
language : en
Publisher: Springer
Release Date : 2008-01-11
A Primer In Density Functional Theory written by Carlos Fiolhais and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-01-11 with Science categories.
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.
Density Functional Theory
DOWNLOAD
Author : Joseph Morin
language : en
Publisher: Nova Science Publishers
Release Date : 2013
Density Functional Theory written by Joseph Morin and has been published by Nova Science Publishers this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013 with Density functionals categories.
Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. This book provides current research in the study of the principles, applications, and analysis of Density Functional Theory (DFT).