Quantum Chemistry and Dynamics of Excited States

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Publisher : John Wiley & Sons
ISBN 13 : 1119417759
Total Pages : 52 pages
Book Rating : 4.1/5 (194 download)

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Book Synopsis Quantum Chemistry and Dynamics of Excited States by : Leticia González

Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.

Frontiers in Quantum Systems in Chemistry and Physics

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Publisher : Springer Science & Business Media
ISBN 13 : 1402087071
Total Pages : 586 pages
Book Rating : 4.4/5 (2 download)

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Book Synopsis Frontiers in Quantum Systems in Chemistry and Physics by : P.J. Grout

Download or read book Frontiers in Quantum Systems in Chemistry and Physics written by P.J. Grout and published by Springer Science & Business Media. This book was released on 2008-09-12 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.

Tensor Network Contractions

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Publisher : Springer Nature
ISBN 13 : 3030344894
Total Pages : 160 pages
Book Rating : 4.0/5 (33 download)

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Book Synopsis Tensor Network Contractions by : Shi-Ju Ran

Download or read book Tensor Network Contractions written by Shi-Ju Ran and published by Springer Nature. This book was released on 2020-01-27 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Tensor network is a fundamental mathematical tool with a huge range of applications in physics, such as condensed matter physics, statistic physics, high energy physics, and quantum information sciences. This open access book aims to explain the tensor network contraction approaches in a systematic way, from the basic definitions to the important applications. This book is also useful to those who apply tensor networks in areas beyond physics, such as machine learning and the big-data analysis. Tensor network originates from the numerical renormalization group approach proposed by K. G. Wilson in 1975. Through a rapid development in the last two decades, tensor network has become a powerful numerical tool that can efficiently simulate a wide range of scientific problems, with particular success in quantum many-body physics. Varieties of tensor network algorithms have been proposed for different problems. However, the connections among different algorithms are not well discussed or reviewed. To fill this gap, this book explains the fundamental concepts and basic ideas that connect and/or unify different strategies of the tensor network contraction algorithms. In addition, some of the recent progresses in dealing with tensor decomposition techniques and quantum simulations are also represented in this book to help the readers to better understand tensor network. This open access book is intended for graduated students, but can also be used as a professional book for researchers in the related fields. To understand most of the contents in the book, only basic knowledge of quantum mechanics and linear algebra is required. In order to fully understand some advanced parts, the reader will need to be familiar with notion of condensed matter physics and quantum information, that however are not necessary to understand the main parts of the book. This book is a good source for non-specialists on quantum physics to understand tensor network algorithms and the related mathematics.

Density-Matrix Renormalization - A New Numerical Method in Physics

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Author :
Publisher : Lecture Notes in Physics
ISBN 13 :
Total Pages : 386 pages
Book Rating : 4.3/5 (91 download)

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Book Synopsis Density-Matrix Renormalization - A New Numerical Method in Physics by : Ingo Peschel

Download or read book Density-Matrix Renormalization - A New Numerical Method in Physics written by Ingo Peschel and published by Lecture Notes in Physics. This book was released on 1999-06-21 with total page 386 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book offers the first comprehensive account of the new method of density matrix renormalization. Recent years have seen enormous progress in the numerical treatment of low-dimensional quantum systems. With this new technique, which selects a reduced set of basis states via density matrices, it has become possible to treat large systems with amazing accuracy. The method has been applied successfully to a variety of important one-dimensional problems such as spin chains, Kondo models, and correlated electron systems. Extensions to other systems and higher dimensions are currently being developed. The contributions to this book are written by leading experts in the field. The two parts contain an introduction to the subject and a review of physical applications. As a combination of advanced textbook and guide to current research the book should become a standard source for everyone interested in the topic.

Density Matrix Renormalization Group

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Author :
Publisher : timbyrnes
ISBN 13 :
Total Pages : 218 pages
Book Rating : 4./5 ( download)

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Book Synopsis Density Matrix Renormalization Group by : Tim Byrnes

Download or read book Density Matrix Renormalization Group written by Tim Byrnes and published by timbyrnes. This book was released on 2003 with total page 218 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Strongly Correlated Systems

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Publisher : Springer Science & Business Media
ISBN 13 : 3642351069
Total Pages : 350 pages
Book Rating : 4.6/5 (423 download)

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Book Synopsis Strongly Correlated Systems by : Adolfo Avella

Download or read book Strongly Correlated Systems written by Adolfo Avella and published by Springer Science & Business Media. This book was released on 2013-04-05 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume presents, for the very first time, an exhaustive collection of those modern numerical methods specifically tailored for the analysis of Strongly Correlated Systems. Many novel materials, with functional properties emerging from macroscopic quantum behaviors at the frontier of modern research in physics, chemistry and material science, belong to this class of systems. Any technique is presented in great detail by its own inventor or by one of the world-wide recognized main contributors. The exposition has a clear pedagogical cut and fully reports on the most relevant case study where the specific technique showed to be very successful in describing and enlightening the puzzling physics of a particular strongly correlated system. The book is intended for advanced graduate students and post-docs in the field as textbook and/or main reference, but also for other researchers in the field who appreciate consulting a single, but comprehensive, source or wishes to get acquainted, in a as painless as possible way, with the working details of a specific technique.

Mass Term Effect on Fractional Quantum Hall States of Dirac Particles

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Author :
Publisher : Springer Nature
ISBN 13 : 9811691665
Total Pages : 96 pages
Book Rating : 4.8/5 (116 download)

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Book Synopsis Mass Term Effect on Fractional Quantum Hall States of Dirac Particles by : Kouki Yonaga

Download or read book Mass Term Effect on Fractional Quantum Hall States of Dirac Particles written by Kouki Yonaga and published by Springer Nature. This book was released on 2022-01-24 with total page 96 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents the high-precision analysis of ground states and low-energy excitations in fractional quantum Hall states formed by Dirac electrons, which have attracted a great deal of attention. In particular the author focuses on the physics of fractional quantum Hall states in graphene on a hexagonal boron nitride substrate, which was recently implemented in experiments. The numerical approach employed in the book, which uses an exact numerical diagonalization of an effective model Hamiltonian on a Haldane’s sphere based on pseudopotential representation of electron interaction, provides a better understanding of the recent experiments. The book reviews various aspects of quantum Hall effect: a brief history, recent experiments with graphene, and fundamental theories on integer and fractional Hall effects. It allows readers to quickly grasp the physics of quantum Hall states of Dirac fermions, and to catch up on latest research on the quantum Hall effect in graphene.

Renormalization

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Publisher : Cambridge University Press
ISBN 13 : 1009401769
Total Pages : 393 pages
Book Rating : 4.0/5 (94 download)

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Book Synopsis Renormalization by : John C. Collins

Download or read book Renormalization written by John C. Collins and published by Cambridge University Press. This book was released on 2023-07-31 with total page 393 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Transition Metals in Coordination Environments

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Publisher : Springer
ISBN 13 : 3030117146
Total Pages : 532 pages
Book Rating : 4.0/5 (31 download)

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Book Synopsis Transition Metals in Coordination Environments by : Ewa Broclawik

Download or read book Transition Metals in Coordination Environments written by Ewa Broclawik and published by Springer. This book was released on 2019-03-16 with total page 532 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic, electrochemical and catalytic properties of transition metals in coordination environments; metalloenzymes and biomimetic compounds; and spin-related phenomena. As such, the book offers an invaluable resource for all researchers and postgraduate students interested in both fundamental and application-oriented research in the field of transition metal systems.

Computational Many-Particle Physics

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Publisher : Springer
ISBN 13 : 3540746862
Total Pages : 780 pages
Book Rating : 4.5/5 (47 download)

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Book Synopsis Computational Many-Particle Physics by : Holger Fehske

Download or read book Computational Many-Particle Physics written by Holger Fehske and published by Springer. This book was released on 2007-12-10 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt: Looking for the real state of play in computational many-particle physics? Look no further. This book presents an overview of state-of-the-art numerical methods for studying interacting classical and quantum many-particle systems. A broad range of techniques and algorithms are covered, and emphasis is placed on their implementation on modern high-performance computers. This excellent book comes complete with online files and updates allowing readers to stay right up to date.

Quantum Kinetic Theory

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Publisher : Springer
ISBN 13 : 3319241214
Total Pages : 406 pages
Book Rating : 4.3/5 (192 download)

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Book Synopsis Quantum Kinetic Theory by : Michael Bonitz

Download or read book Quantum Kinetic Theory written by Michael Bonitz and published by Springer. This book was released on 2015-11-20 with total page 406 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents quantum kinetic theory in a comprehensive way. The focus is on density operator methods and on non-equilibrium Green functions. The theory allows to rigorously treat nonequilibrium dynamics in quantum many-body systems. Of particular interest are ultrafast processes in plasmas, condensed matter and trapped atoms that are stimulated by rapidly developing experiments with short pulse lasers and free electron lasers. To describe these experiments theoretically, the most powerful approach is given by non-Markovian quantum kinetic equations that are discussed in detail, including computational aspects.

Theoretical Methods for Strongly Correlated Electrons

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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.

A Chemist's Guide to Density Functional Theory

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Publisher : John Wiley & Sons
ISBN 13 : 3527802819
Total Pages : 313 pages
Book Rating : 4.5/5 (278 download)

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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 and published by John Wiley & Sons. This book was released on 2015-11-18 with total page 313 pages. 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 Ragué 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.

Introduction to Tensor Network Methods

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Publisher : Springer
ISBN 13 : 3030014096
Total Pages : 172 pages
Book Rating : 4.0/5 (3 download)

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Book Synopsis Introduction to Tensor Network Methods by : Simone Montangero

Download or read book Introduction to Tensor Network Methods written by Simone Montangero and published by Springer. This book was released on 2018-11-28 with total page 172 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume of lecture notes briefly introduces the basic concepts needed in any computational physics course: software and hardware, programming skills, linear algebra, and differential calculus. It then presents more advanced numerical methods to tackle the quantum many-body problem: it reviews the numerical renormalization group and then focuses on tensor network methods, from basic concepts to gauge invariant ones. Finally, in the last part, the author presents some applications of tensor network methods to equilibrium and out-of-equilibrium correlated quantum matter. The book can be used for a graduate computational physics course. After successfully completing such a course, a student should be able to write a tensor network program and can begin to explore the physics of many-body quantum systems. The book can also serve as a reference for researchers working or starting out in the field.

Emergent Phenomena in Correlated Matter

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Publisher : Forschungszentrum Jülich
ISBN 13 : 3893368841
Total Pages : 562 pages
Book Rating : 4.8/5 (933 download)

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Book Synopsis Emergent Phenomena in Correlated Matter by : Eva Pavarini

Download or read book Emergent Phenomena in Correlated Matter written by Eva Pavarini and published by Forschungszentrum Jülich. This book was released on 2013 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Exact Renormalization Group, The - Proceedings Of The Workshop

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Author :
Publisher : World Scientific
ISBN 13 : 9814543578
Total Pages : 238 pages
Book Rating : 4.8/5 (145 download)

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Book Synopsis Exact Renormalization Group, The - Proceedings Of The Workshop by : Alexander Krasnitz

Download or read book Exact Renormalization Group, The - Proceedings Of The Workshop written by Alexander Krasnitz and published by World Scientific. This book was released on 1999-08-13 with total page 238 pages. Available in PDF, EPUB and Kindle. Book excerpt: The subject of the exact renormalization group started from pioneering work by Wegner and Houghton in the early seventies and, a decade later, by Polchinski, who formulated the Wilson renormalization group for field theory. In the past decade considerable progress has been made in this field, which includes the development of alternative formulations of the approach and of powerful techniques for solving the exact renormalization group equations, as well as widening of the scope of the exact renormalization group method to include fermions and gauge fields. In particular, two very recent results, namely the manifestly gauge-invariant formulation of the exact renormalization group equation and the proof of the c-theorem in four dimensions, are presented in this volume.

Density Matrix and Tensor Network Renormalization

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Author :
Publisher : Cambridge University Press
ISBN 13 : 1009398717
Total Pages : 456 pages
Book Rating : 4.0/5 (93 download)

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Book Synopsis Density Matrix and Tensor Network Renormalization by : Tao Xiang

Download or read book Density Matrix and Tensor Network Renormalization written by Tao Xiang and published by Cambridge University Press. This book was released on 2023-08-31 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: Renormalization group theory of tensor network states provides a powerful tool for studying quantum many-body problems and a new paradigm for understanding entangled structures of complex systems. In recent decades the theory has rapidly evolved into a universal framework and language employed by researchers in fields ranging from condensed matter theory to machine learning. This book presents a pedagogical and comprehensive introduction to this field for the first time. After an introductory survey on the major advances in tensor network algorithms and their applications, it introduces step-by-step the tensor network representations of quantum states and the tensor-network renormalization group methods developed over the past three decades. Basic statistical and condensed matter physics models are used to demonstrate how the tensor network renormalization works. An accessible primer for scientists and engineers, this book would also be ideal as a reference text for a graduate course in this area.