Concepts In Electron Correlation
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Concepts In Electron Correlation
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Author : Alex C. Hewson
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Concepts In Electron Correlation written by Alex C. Hewson 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.
The NATO sponsored Advanced Research Workshop on "Concepts in Electron Correlation" took place on the Croatian island of Hvar during the period from the 29th of September to the 3rd of October, 2002. The topic of electron correlation is a fundamental one in the field of condensed matter, and one that is being very actively studied both experimentally and theoretically at the present time. The manifestations of electron cor relation are diverse, and play an important role in systems ranging from high temperature superconductors, heavy fermions, manganite compounds with colossal magnetoresistance, transition metal compounds with metal insulator transitions, to mesoscopic systems and quantum dots. The aim of the workshop was to provide an opportunity for a dialogue between exper imentalists and theoreticians to assess the current state of understanding, and to set an agenda for future work. There was also a follow-up workshop on the same topic where the presentations included more background and introductory material for younger researchers in the field. The papers presented in these proceedings clearly demonstrate the di versity of current research on electron correlation. They show that real progress is being made in characterising systems experimentally and in developing theoretical approaches for a quantitative comparison with ex periment. The more one learns, however, the more there is to understand, and many of the contributions help to map out the territory which has yet to be explored. We hope that the articles in this volume will be a stimulus for such future work.
Electron Correlation In Molecules
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Author : S. Wilson
language : en
Publisher: Courier Corporation
Release Date : 2014-07-01
Electron Correlation In Molecules written by S. Wilson and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-01 with Science categories.
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.
Concepts In Electron Correlation
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Author : Alex C. Hewson
language : en
Publisher: Springer Science & Business Media
Release Date : 2003-09-30
Concepts In Electron Correlation written by Alex C. Hewson 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 2003-09-30 with Science categories.
The concept of electron correlation is fundamental to condensed matter physics, playing an important role in systems including high temperature superconductors, heavy fermions, manganite compounds with colossal magnetoresistance, transition metal compounds with metal-insulator transitions, and mesoscopic systems like quantum dots and carbon nanotubes. The dialogue between experimentalists and theoreticians presented here is an assessment of our current understanding of the field; one that sets the agenda for future work.
Electron Correlations In Molecules And Solids
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Author : Peter Fulde
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Electron Correlations In Molecules And Solids written by Peter Fulde 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.
Quantum chemistry and solid-state theory are two important related fields of research that have grown up with almost no cross communication. This book bridges the gap between the two. In the first half, new concepts for treating weak and strong correlations are developed, and standard quantum-chemical methods, as well as density functional, Green's function, functional integral, and Monte Carlo methods are discussed. The second half discusses applications of the theory to molecules, semiconductors, homogeneous metallic systems, transition metals, and strongly correlated systems such as heavy-fermion systems and the new high-Tc superconducting materials.
Conceptual Perspectives In Quantum Chemistry
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Author : Jean-Louis Calais
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Conceptual Perspectives In Quantum Chemistry written by Jean-Louis Calais 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.
The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.
Electron Correlations In Molecules And Solids
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Author : Peter Fulde
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Electron Correlations In Molecules And Solids written by Peter Fulde 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.
Electron Correlations in Molecules and Solids bridges the gap between quantum chemistry and solid-state theory. In the first half of the text new concepts are developed for treating many-body and correlation effects, combining standard quantum chemical methods with projection techniques, Greens-function methods and Monte-Carlo techniques. The second half deals with applications of the theory to molecules, semiconductors, transition metals, heavy-fermion systems, and the new high-Tc superconducting materials.
Explicitly Correlated Wave Functions In Chemistry And Physics
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Author : J. Rychlewski
language : en
Publisher: Springer Science & Business Media
Release Date : 2003-11-30
Explicitly Correlated Wave Functions In Chemistry And Physics written by J. Rychlewski 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 2003-11-30 with Science categories.
Explicitly Correlated Wave Functions in Chemistry and Physics is the first book devoted entirely to explicitly correlated wave functions and their theory and applications in chemistry and molecular and atomic physics. Explicitly correlated wave functions are functions that depend explicitly on interelectronic distance. The book covers a wide range of methods based on explicitly correlated functions written by leaders in the field, including Kutzelnigg, Jeziorski, Szalewicz, Klopper and Noga. The book begins with a chapter on the theory of electron correlation and then the following three chapters describe different types of functions that can be used to solve the electronic Schrödinger equation for atoms and molecules. The book goes on to discuss the effects that go beyond the Born-Oppenheimer approximation, theory of relativistic effects, solution of the Dirac-Colomb equation, and relativistic correction using ECG functions. The last part of the book reviews applications of EC functions to calculate atomic and molecular properties and to study positronic systems, resonance states of atoms and nuclear dynamics of the hydrogen molecular ion.
Concepts And Methods In Modern Theoretical Chemistry
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Author : Swapan Kumar Ghosh
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Concepts And Methods In Modern Theoretical Chemistry written by Swapan Kumar Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Science categories.
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how co
Interacting Electrons
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Author : Richard M. Martin
language : en
Publisher: Cambridge University Press
Release Date : 2016-06-30
Interacting Electrons written by Richard M. Martin 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 2016-06-30 with Computers categories.
This book sets out modern methods of computing properties of materials, including essential theoretical background, computational approaches, practical guidelines and instructive applications.
Concepts And Methods In Modern Theoretical Chemistry Two Volume Set
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Author : Swapan Kumar Ghosh
language : en
Publisher: CRC Press
Release Date : 2020-06-16
Concepts And Methods In Modern Theoretical Chemistry Two Volume Set written by Swapan Kumar Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-06-16 with Science categories.
Concepts and Methods in Modern Theoretical Chemistry, Two-Volume Set focuses on the structure and dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to learn how concepts from ab initio quantum chemistry, density functio