Electron Correlation Methodology

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Theoretical Methods for Strongly Correlated Electrons

Author : David Sénéchal
Publisher : Springer Science & Business Media
ISBN 13 : 0387217177
Total Pages : 362 pages
Book Rating : 4.3/5 (872 download)

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Book Synopsis Theoretical Methods for Strongly Correlated Electrons by : David Sénéchal

Download or read book Theoretical Methods for Strongly Correlated Electrons written by David Sénéchal and published by Springer Science & Business Media. This book was released on 2006-05-09 with total page 362 pages. Available in PDF, EPUB and Kindle. Book excerpt: Focusing on the purely theoretical aspects of strongly correlated electrons, this volume brings together a variety of approaches to models of the Hubbard type - i.e., problems where both localized and delocalized elements are present in low dimensions. The chapters are arranged in three parts. The first part deals with two of the most widely used numerical methods in strongly correlated electrons, the density matrix renormalization group and the quantum Monte Carlo method. The second part covers Lagrangian, Functional Integral, Renormalization Group, Conformal, and Bosonization methods that can be applied to one-dimensional or weakly coupled chains. The third part considers functional derivatives, mean-field, self-consistent methods, slave-bosons, and extensions.

New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

Author : Monika Musial
Publisher : Elsevier
ISBN 13 : 0128235462
Total Pages : 352 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes by : Monika Musial

Download or read book New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes written by Monika Musial and published by Elsevier. This book was released on 2021-09-28 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers

Electron Correlation in Molecules and Condensed Phases

Author : Norman H. March
Publisher : Springer Science & Business Media
ISBN 13 : 148991370X
Total Pages : 404 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Electron Correlation in Molecules and Condensed Phases by : Norman H. March

Download or read book Electron Correlation in Molecules and Condensed Phases written by Norman H. March and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 404 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book had its origins in lectures presented at EPFL, Lausanne, during two separate visits (the most recent being to IRRMA). The author is most grateful to Professors A. Baldereschi, R. Car, and A. Quattropani for making these visits possible, and for the splendidly stimulating environment provided. Professors S. Baroni and R. Resta also influenced considerably the presentation of material by constructive help and comments. Most importantly, Chapters 4 and 5 were originally prepared for a review article by Professor G. Senatore, then at Pavia and now in Trieste, and myself for Reviews of Modem Physics (1994). In the 'course of this collaboration, he has taught me a great deal, especially about quantum Monte Carlo procedures, and Chapter 5 is based directly on this review article. Also in Chapter 4, my original draft on Gutzwiller's method has been transformed by his deeper understanding; again this is reflected directly in Chapter 4; especially in the earlier sections. In addition to the above background, it is relevant here to point out that, as a backcloth for the present, largely "state of the art," account, there are two highly relevant earlier books: The Many-body Problem in Quantum Mechanics with W.

Electron Correlation in Molecules

Author : S. Wilson
Publisher : Courier Corporation
ISBN 13 : 0486150224
Total Pages : 305 pages
Book Rating : 4.4/5 (861 download)

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Book Synopsis Electron Correlation in Molecules by : S. Wilson

Download or read book Electron Correlation in Molecules written by S. Wilson and published by Courier Corporation. This book was released on 2014-07-01 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.

Lecture Notes on Electron Correlation and Magnetism

Author : Patrik Fazekas
Publisher : World Scientific
ISBN 13 : 9810224745
Total Pages : 794 pages
Book Rating : 4.8/5 (12 download)

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Book Synopsis Lecture Notes on Electron Correlation and Magnetism by : Patrik Fazekas

Download or read book Lecture Notes on Electron Correlation and Magnetism written by Patrik Fazekas and published by World Scientific. This book was released on 1999 with total page 794 pages. Available in PDF, EPUB and Kindle. Book excerpt: Readership: Graduate students and researchers in condensed matter physics.

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

Author :
Publisher : Academic Press
ISBN 13 : 0128235470
Total Pages : 354 pages
Book Rating : 4.1/5 (282 download)

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Book Synopsis New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes by :

Download or read book New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes written by and published by Academic Press. This book was released on 2021-09-28 with total page 354 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers

Electron Correlation Methodology

Author : Angela K. Wilson
Publisher :
ISBN 13 :
Total Pages : 236 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Electron Correlation Methodology by : Angela K. Wilson

Download or read book Electron Correlation Methodology written by Angela K. Wilson and published by . This book was released on 2007 with total page 236 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modeling is becoming a significant component in the design and analysis of chemical systems in areas such as catalysis, nanomaterials, and biological systems. With rapidly advancing technology, there is an increasing need to model molecules that are quite large and complex, and to model such systems with reasonable accuracy. However, computational methods are generally more numerous and reliable for lighter, smaller molecules since calculations on smaller molecules are less computationally demanding than for larger molecules, and can take advantage of high accuracy, but prohibitively expensive, computational approaches. Two widely used approaches for chemical modeling are ab initio correlated methods and density functional theory. Though there is great interest in using these methods for high accuracy calculations on increasingly larger and more complex chemical systems, each approach currently has limitations. Ab initio methods suffer from a high "N-scaling" problem, where the N-scaling represents the computational cost (memory, disk space, and time requirements of the calculations), thus making high accuracy calculations. Density functional methods have a much lower N-scaling, and thus calculations can be done on much larger molecules. Unfortunately, density functional calculations are generally not as reliable as ab initio approaches, and sometimes, at best can only provide a qualitative description of properties of interest. This volume brings together researchers from throughout the world to assess recent progress in the field of electronic structure methodology, focusing upon ab initio and density functional developments, and to discuss future direction. This publication will impact a number of fields including computational chemistry, organic chemistry, and inorganic chemistry. It will help to provide a closer commonality of ab initio and density functional approaches, as it brings together many of the top senior and junior scientists in both fields to address a common problem: high accuracy modeling of larger chemical systems.

Methods in Computational Chemistry

Author : Stephen Wilson
Publisher : Springer Science & Business Media
ISBN 13 : 148991983X
Total Pages : 378 pages
Book Rating : 4.4/5 (899 download)

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Book Synopsis Methods in Computational Chemistry by : Stephen Wilson

Download or read book Methods in Computational Chemistry written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 378 pages. Available in PDF, EPUB and Kindle. Book excerpt: When, forty years ago, as a student of Charles Coulson in Oxford I began work in theoretical chemistry, I was provided with a Brunsviga calculator-a small mechanical device with a handle for propulsion, metal levers for setting the numbers, and a bell that rang to indicate overflow. What has since come to be known as computational chemistry was just beginning. There followed a long period in which the fundamental theory of the "golden age" (1925-1935) was extended and refined and in which the dreams of the early practitioners were gradually turned into hard arithmetic reality. As a still-computing survivor from the early postwar days now enjoying the benefits of unbelievably improved hardware, I am glad to contribute a foreword to this series and to have the opportunity of providing a little historical perspective. After the Brunsviga came the electromechanical machines of the late 1940s and early 1950s, and a great reduction in the burden of calculating molecular wavefunctions. We were now happy. At least for systems con taining a few electrons it was possible to make fully ab initio calculations, even though semiempirical models remained indispensable for most molecules of everyday interest. The 1950 papers of Hall and of Roothaan represented an important milestone along the road to larger-scale non empirical calculations, extending the prewar work of Hartree and Fock from many-electron atoms to many-electron molecules-and thus into "real chemistry.

Correlated Electrons in Quantum Matter

Author : Peter Fulde
Publisher : World Scientific
ISBN 13 : 9814397229
Total Pages : 552 pages
Book Rating : 4.8/5 (143 download)

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Book Synopsis Correlated Electrons in Quantum Matter by : Peter Fulde

Download or read book Correlated Electrons in Quantum Matter written by Peter Fulde and published by World Scientific. This book was released on 2012-08-08 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: An understanding of the effects of electronic correlations in quantum systems is one of the most challenging problems in physics, partly due to the relevance in modern high technology. Yet there exist hardly any books on the subject which try to give a comprehensive overview on the field covering insulators, semiconductors, as well as metals. The present book tries to fill that gap. It intends to provide graduate students and researchers a comprehensive survey of electron correlations, weak and strong, in insulators, semiconductors and metals. This topic is a central one in condensed matter and beyond that in theoretical physics. The reader will have a better understanding of the great progress which has been made in the field over the past few decades. Contents:IntroductionIndependent ElectronsHomogeneous Electron GasDensity Functional TheoryWavefunction-Based MethodsCorrelated Ground-State WavefunctionsQuasiparticle ExcitationsIncoherent ExcitationsCoherent-Potential ApproximationsStrongly Correlated ElectronsTransition MetalsTransition-Metal OxidesHeavy QuasiparticlesExcitations with Fractional ChargesSuperconductivity Readership: Graduate students and researchers in condensed matter physics. Keywords:Electron Correlations;Many-body Theory;Quasi-Particles;Fractional Charges;Superconductivity;Many-Body WavefunctionsKey Features:Besides approaches based on Density Functional Theory, the importance of many-body wavefunction and projection methods is emphasizedConsiderable space is devoted to systems with strong electron correlations evident in high-Tc superconducting cupratesTransition metals and their oxides are discussed as well as compounds with heavy quasiparticlesDifferent competing methods for describing correlation effects are presentedAt various places a connection to relevant experiments is madeReviews: “Peter Fulde's book is well suited as an introduction to the general field of correlated electron systems… For this purpose some elementary chapters are included. Finally, the book is hard work but also fun to read because of its personal style.” Prof. Dr. Joachim Keller Institut für Theoretische Physik Universität Regensburg “Written with great pedagogical skill, it will be of interest to both experts in the field and graduate students. The book presents a consistent description of a new branch of solid state physics — the theory of strongly correlated systems which cannot be treated by conventional approaches as the density functional theory being successful for many years in describing band structure of solids. In this respect it can be used as a textbook for a university course on this new and fascinating branch of solid state physics.” Professor Nikolay Pladika Joint Institute for Nuclear Research “Peter Fulde provides an excellent introduction to this field. This book provides a very careful treatment of an extraordinarily wide range of topics, and is particularly strong on transition-metal oxides and heavy fermion systems. This carefully written book can be recommended to a very wide readership.” Contemporary Physics

Fragmentation: Toward Accurate Calculations on Complex Molecular Systems

Author : Mark S. Gordon
Publisher : John Wiley & Sons
ISBN 13 : 1119129249
Total Pages : 376 pages
Book Rating : 4.1/5 (191 download)

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Book Synopsis Fragmentation: Toward Accurate Calculations on Complex Molecular Systems by : Mark S. Gordon

Download or read book Fragmentation: Toward Accurate Calculations on Complex Molecular Systems written by Mark S. Gordon and published by John Wiley & Sons. This book was released on 2017-10-23 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system. Topics covered include: Fragmentation methods Embedding methods Explicitly correlated local electron correlation methods Fragment molecular orbital method Methods for treating large molecules This book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.

Electronic Structure Calculations on Graphics Processing Units

Author : Ross C. Walker
Publisher : John Wiley & Sons
ISBN 13 : 1118670701
Total Pages : 368 pages
Book Rating : 4.1/5 (186 download)

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Book Synopsis Electronic Structure Calculations on Graphics Processing Units by : Ross C. Walker

Download or read book Electronic Structure Calculations on Graphics Processing Units written by Ross C. Walker and published by John Wiley & Sons. This book was released on 2016-02-16 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches. The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Møller-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations.

Electron Correlation and Magnetism in Narrow-Band Systems

Author : T. Moriya
Publisher : Springer Science & Business Media
ISBN 13 : 3642816398
Total Pages : 270 pages
Book Rating : 4.6/5 (428 download)

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Book Synopsis Electron Correlation and Magnetism in Narrow-Band Systems by : T. Moriya

Download or read book Electron Correlation and Magnetism in Narrow-Band Systems written by T. Moriya and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: Speech by Toyosaburo Taniguchi Welcome my friends to the Third International Symposium, Division on the Theory of Condensed Matter, of the Taniguchi Foundation. The need is now greater than ever for Japan to consider how to strengthen and foster international understanding between nations, peoples and societies, and how to contribute towards the establishment of peace and prosperity in the world. For more than twenty years, I have been supporting a symposium on mathe matics in which distinguished scholars from allover the world have engaged in free discussions. In this symposium, all the participants live together in community style. I have heard from members of some of these study groups that this type of setup has helped to strengthen their ties and relationships with their colleagues on a personal basis. What developed in the mathematics group led me to reorganize and strengthen the Taniguchi Foundation only a few years ago through additional funding. In order to effectively translate the objectives of the Foundation into action with the funds available, it becomes necessary to select those fields which are not necessarily in the limelight of popular interest, which means those fields which, I am afraid, are low in funding. I would rather choose from modest unimpressive academic fields than for the Foundation, projects those that stand out in gaudy, gorgeous popular acclaim.

New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

Author : Philip E. Hoggan
Publisher :
ISBN 13 :
Total Pages : 334 pages
Book Rating : 4.:/5 (127 download)

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Book Synopsis New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes by : Philip E. Hoggan

Download or read book New Electron Correlation Methods and Their Applications, and Use of Atomic Orbitals with Exponential Asymptotes written by Philip E. Hoggan and published by . This book was released on 2021 with total page 334 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes."--publisher's web page, viewed September 28, 2021.

Electron Correlation in Molecules

Author : Stephen Wilson
Publisher :
ISBN 13 : 9781306937856
Total Pages : 281 pages
Book Rating : 4.9/5 (378 download)

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Book Synopsis Electron Correlation in Molecules by : Stephen Wilson

Download or read book Electron Correlation in Molecules written by Stephen Wilson and published by . This book was released on 2014-01-01 with total page 281 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.

Interacting Electrons

Author : Richard M. Martin
Publisher : Cambridge University Press
ISBN 13 : 1316558568
Total Pages : 843 pages
Book Rating : 4.3/5 (165 download)

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Book Synopsis Interacting Electrons by : Richard M. Martin

Download or read book Interacting Electrons written by Richard M. Martin and published by Cambridge University Press. This book was released on 2016-06-30 with total page 843 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.

Electron Correlations in Molecules and Solids

Author : Peter Fulde
Publisher : Springer Science & Business Media
ISBN 13 : 3642578098
Total Pages : 492 pages
Book Rating : 4.6/5 (425 download)

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Book Synopsis Electron Correlations in Molecules and Solids by : Peter Fulde

Download or read book Electron Correlations in Molecules and Solids written by Peter Fulde and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 492 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dieser Titel verbindet die Festkörpertheorie mit der Quantenchemie. Neue Konzepte der Vielteilchen-Verarbeitung und Korrelations-Effekte, normale quantenchemische Verfahren mit Projektionstechniken, Greensche Funktionen und Monte-Carlo-Methoden werden erarbeitet. Anwendungsbereiche der Molekültheorie, von Halbleitern, supraleitender high-Tc-Materialien, etc., werden vorgestellt.

Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry

Author :
Publisher : Academic Press
ISBN 13 : 9780128030608
Total Pages : 0 pages
Book Rating : 4.0/5 (36 download)

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Book Synopsis Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry by :

Download or read book Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry written by and published by Academic Press. This book was released on 2016-01-26 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electron Correlation in Molecules - ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology.