Electron Correlation In Molecules
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Electron Correlation In Molecules
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Author : S. Wilson
language : en
Publisher: Courier Corporation
Release Date : 2007-05-11
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 2007-05-11 with Science categories.
This text addresses one of theoretical chemistry's central problems. Topics include molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, and related topics. 1984 edition.
Electron Correlation In Molecules
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Author : Stephen Wilson
language : en
Publisher:
Release Date : 2014-01-01
Electron Correlation In Molecules written by Stephen Wilson and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-01-01 with Electron configuration 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.
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.
Electron Correlation In Molecules And Condensed Phases
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Author : Norman H. March
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-11-11
Electron Correlation In Molecules And Condensed Phases written by Norman H. March 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 2013-11-11 with Science categories.
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.
Correlated Electrons In Quantum Matter
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Author : Peter Fulde
language : en
Publisher: World Scientific
Release Date : 2012
Correlated Electrons In Quantum Matter written by Peter Fulde and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Science categories.
"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."--P. [4] of cover.
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.
Electron Correlation In Molecules And Condensed Phases
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Author : Norman H. March
language : en
Publisher: Springer Science & Business Media
Release Date : 1996-10-31
Electron Correlation In Molecules And Condensed Phases written by Norman H. March 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 1996-10-31 with Science categories.
This reference describes the latest research on correlation effects in the multicenter problems of atoms, molecules, and solids. The author utilizes first- and second-order matrices, including the important observable electron density rho(r), and the Green function for discussing quantum computer simulations. With its focus on concepts and theories, this volume will benefit experimental physicists, materials scientists, and physical and inorganic chemists as well as graduate students.
Electron Correlations In The Solid State
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Author : Norman H March
language : en
Publisher: World Scientific Publishing Company
Release Date : 1999-12-13
Electron Correlations In The Solid State written by Norman H March and has been published by World Scientific Publishing Company this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999-12-13 with Science categories.
This invaluable book deals with the many-electron theory of the solid state. Mastery of the material in it will equip the reader for research in areas such as high-temperature superconductors and the fractional quantum Hall effect. The whole book has been designed to provide the diligent reader with a wide variety of approaches to many-electron theory.The level of the book is suitable for research workers and higher-degree students in a number of disciplines, embracing theoretical physics, materials science and solid-state chemistry. It should be useful not only to theorists in these areas but also to experimental scientists who desire to orient their programmes to address outstanding questions raised by many-body theory.
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.
Lecture Notes On Electron Correlation And Magnetism
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Author : Patrik Fazekas
language : en
Publisher: World Scientific
Release Date : 1999
Lecture Notes On Electron Correlation And Magnetism written by Patrik Fazekas and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1999 with Science categories.
Readership: Graduate students and researchers in condensed matter physics.