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Quantal Density Functional Theory

2013-03-14 Science
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Release : 2013-03-14
Genre : Science
Kind : eBook
Book Rating : 242/5 ( reviews)

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Book Synopsis Quantal Density Functional Theory by : Viraht Sahni

Download or read book Quantal Density Functional Theory written by Viraht Sahni. This book was released on 2013-03-14. Available in PDF, EPUB and Kindle. Book excerpt: 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

Quantal Density Functional Theory II

2009-10-16 Science
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Release : 2009-10-16
Genre : Science
Kind : eBook
Book Rating : 296/5 ( reviews)

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Book Synopsis Quantal Density Functional Theory II by : Viraht Sahni

Download or read book Quantal Density Functional Theory II written by Viraht Sahni. This book was released on 2009-10-16. Available in PDF, EPUB and Kindle. Book excerpt: 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

2000 Density functionals
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Release : 2000
Genre : Density functionals
Kind : eBook
Book Rating : /5 ( reviews)

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Book Synopsis Quantal Density Functional Theory by : Zhixin Qian

Download or read book Quantal Density Functional Theory written by Zhixin Qian. This book was released on 2000. Available in PDF, EPUB and Kindle. Book excerpt:

Density Functional Theory

2012-12-06 Science
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Release : 2012-12-06
Genre : Science
Kind : eBook
Book Rating : 059/5 ( reviews)

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Book Synopsis Density Functional Theory by : Reiner M. Dreizler

Download or read book Density Functional Theory written by Reiner M. Dreizler. This book was released on 2012-12-06. Available in PDF, EPUB and Kindle. Book excerpt: 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.

A Chemist's Guide to Density Functional Theory

2015-11-18 Science
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Release : 2015-11-18
Genre : Science
Kind : eBook
Book Rating : 819/5 ( reviews)

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Book Synopsis A Chemist's Guide to Density Functional Theory by : Wolfram Koch

Download or read book A Chemist's Guide to Density Functional Theory written by Wolfram Koch. This book was released on 2015-11-18. Available in PDF, EPUB and Kindle. Book excerpt: "Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposition of density functional theory: its basis, concepts, terms, implementation, and performance in diverse applications. Users of DFT for structure, energy, and molecular property computations, as well as reaction mechanism studies, are guided to the optimum choices of the most effective methods. Well done!" Paul von Rague Schleyer "A conspicuous hole in the computational chemist's library is nicely filled by this book, which provides a wide-ranging and pragmatic view of the subject.[...It] should justifiably become the favorite text on the subject for practioneers who aim to use DFT to solve chemical problems." J. F. Stanton, J. Am. Chem. Soc. "The authors' aim is to guide the chemist through basic theoretical and related technical aspects of DFT at an easy-to-understand theoretical level. They succeed admirably." P. C. H. Mitchell, Appl. Organomet. Chem. "The authors have done an excellent service to the chemical community. [...] A Chemist's Guide to Density Functional Theory is exactly what the title suggests. It should be an invaluable source of insight and knowledge for many chemists using DFT approaches to solve chemical problems." M. Kaupp, Angew. Chem.

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