Ab Initio Calculations Of Spin Wave Excitation Spectra From Time Dependent Density Functional Theory
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Ab Initio Calculations Of Spin Wave Excitation Spectra From Time Dependent Density Functional Theory
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Author : Manfred Niesert
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Ab Initio Calculations Of Spin Wave Excitation Spectra From Time Dependent Density Functional Theory written by Manfred Niesert and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Spin Correlations And Excitations In Spin Frustrated Molecular And Molecule Based Magnets
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Author : Zhendong Fu
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Spin Correlations And Excitations In Spin Frustrated Molecular And Molecule Based Magnets written by Zhendong Fu and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Programme And Abstracts
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Author : Thomas Brückel
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Programme And Abstracts written by Thomas Brückel and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Multiferroicity In Oxide Thin Films And Heterostructures
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Author : Artur Glavic
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Multiferroicity In Oxide Thin Films And Heterostructures written by Artur Glavic and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Influence Of A Shear Flow On Colloidal Depletion Interaction
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Author : Christoph July
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Influence Of A Shear Flow On Colloidal Depletion Interaction written by Christoph July and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Neutron Scattering
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Author :
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Neutron Scattering written by and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
First Principles Approaches To Spectroscopic Properties Of Complex Materials
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Author : Cristiana Di Valentin
language : en
Publisher: Springer
Release Date : 2014-09-26
First Principles Approaches To Spectroscopic Properties Of Complex Materials written by Cristiana Di Valentin and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-09-26 with Technology & Engineering categories.
The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students.
Fundamentals Of Time Dependent Density Functional Theory
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Author : Miguel A.L. Marques
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-20
Fundamentals Of Time Dependent Density Functional Theory written by Miguel A.L. Marques 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 2012-01-20 with Science categories.
There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms—such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706: “This is a well structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field.” (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007) “This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters complement each other [...]. It is highly accessible to any graduate student of chemistry or physics with a solid grounding in many-particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. [...] In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf.” Amazon.com, October 15, 2008, David Tempel (Cambridge, MA)
Ab Initio Molecular Dynamics
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Author : Dominik Marx
language : en
Publisher: Cambridge University Press
Release Date : 2009
Ab Initio Molecular Dynamics written by Dominik Marx and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with Chemistry categories.
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics and electronic structure theory. This book provides the first coherent presentation of this rapidly growing field, covering a vast range of methods and their applications, from basic theory to advanced methods. This fascinating text for graduate students and researchers contains systematic derivations of various ab initio molecular dynamics techniques in order that readers can understand and assess the merits and drawbacks of commonly used methods. It also discusses the special features of the widely-used Car-Parrinello approach, correcting various misconceptions currently found in research literature. The book also contains pseudo-code and program layout for typical plane wave electronic structure codes, allowing newcomers to the field to understand commonly-used program packages, and enabling developers to improve and add new features in their code.
Time Dependent Density Functional Theory
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Author : Miguel A.L. Marques
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-08-14
Time Dependent Density Functional Theory written by Miguel A.L. Marques 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 2006-08-14 with Science categories.
Time-dependent density functional theory (TDDFT) is based on a set of ideas and theorems quite distinct from those governing ground-state DFT, but emphasizing similar techniques. Today, the use of TDDFT is rapidly growing in many areas of physics, chemistry and materials sciences where direct solution of the Schrödinger equation is too demanding. This is the first comprehensive, textbook-style introduction to the relevant basics and techniques.