Theoretical Methods for Strongly Correlated Electrons

Theoretical Methods for Strongly Correlated Electrons

Author: David Sénéchal

Publisher: Springer Science & Business Media

Published: 2006-05-09

Total Pages: 370

ISBN-13: 0387217177

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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.


Explicitly Correlated Wave Functions in Chemistry and Physics

Explicitly Correlated Wave Functions in Chemistry and Physics

Author: J. Rychlewski

Publisher: Springer Science & Business Media

Published: 2003-11-30

Total Pages: 588

ISBN-13: 9781402016745

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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.


Electron Correlation in Molecules and Condensed Phases

Electron Correlation in Molecules and Condensed Phases

Author: Norman H. March

Publisher: Springer Science & Business Media

Published: 2013-11-11

Total Pages: 404

ISBN-13: 148991370X

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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.


Quantum Many-particle Systems

Quantum Many-particle Systems

Author: John W. Negele

Publisher: CRC Press

Published: 2018-03-05

Total Pages: 474

ISBN-13: 0429966474

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This book explains the fundamental concepts and theoretical techniques used to understand the properties of quantum systems having large numbers of degrees of freedom. A number of complimentary approaches are developed, including perturbation theory; nonperturbative approximations based on functional integrals; general arguments based on order parameters, symmetry, and Fermi liquid theory; and stochastic methods.


Electron Correlations and Materials Properties

Electron Correlations and Materials Properties

Author: A. Gonis

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 545

ISBN-13: 1461547156

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This volume, the proceedings of a 1998 international workshop, provides experimental evidence of the effects of correlation on the physical, chemical, and mechanical properties of materials, as well as the theoretical/computational methodology that has been developed for their study.


Computational Many-Particle Physics

Computational Many-Particle Physics

Author: Holger Fehske

Publisher: Springer

Published: 2007-12-10

Total Pages: 774

ISBN-13: 3540746862

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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.


Correlated Electrons In Quantum Matter

Correlated Electrons In Quantum Matter

Author: Peter Fulde

Publisher: World Scientific

Published: 2012-08-08

Total Pages: 550

ISBN-13: 9814397229

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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.


Multiconfigurational Quantum Chemistry

Multiconfigurational Quantum Chemistry

Author: Björn O. Roos

Publisher: John Wiley & Sons

Published: 2016-08-08

Total Pages: 240

ISBN-13: 0470633468

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The first book to aid in the understanding of multiconfigurational quantum chemistry, Multiconfigurational Quantum Chemistry demystifies a subject that has historically been considered difficult to learn. Accessible to any reader with a background in quantum mechanics and quantum chemistry, the book contains illustrative examples showing how these methods can be used in various areas of chemistry, such as chemical reactions in ground and excited states, transition metal and other heavy element systems. The authors detail the drawbacks and limitations of DFT and coupled-cluster based methods and offer alternative, wavefunction-based methods more suitable for smaller molecules.


Computational Methods for Electron—Molecule Collisions

Computational Methods for Electron—Molecule Collisions

Author: Franco A. Gianturco

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 374

ISBN-13: 1475797974

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The collision of electrons with molecules and molecular ions is a fundamental pro cess in atomic and molecular physics and in chemistry. At high incident electron en ergies, electron-molecule collisions are used to deduce molecular geometries, oscillator strengths for optically allowed transitions, and in the case of electron-impact ionization, to probe the momentum distribution of the molecule itself. When the incident electron energy is comparable to or below those of the molecular valence electrons, the physics involved is particularly rich. Correlation and exchange effects necessary to describe such collision processes bear a close resemblance to similar efft:cts in the theory of electronic structure in molecules. Compound state formations, in the form of resonances and vir tual states, manifest themselves in experimental observables which provide details of the electron-molecule interactions. Ro-vibrational excitations by low-energy electron collisions exemplify energy transfer between the electronic and nuclear motion. The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes. In addition to its fundamental nature, the study of electron-molecule collisions is also motivated by its relation to other fields of study and by its technological appli cations. The study of planetary atmospheres and the interstellar medium necessarily involve collision processes of electrons with molecules and molecular ions.