electron correlation in molecules

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Electron Correlation In Molecules

Author : S. Wilson
ISBN : 9780486150222
Genre : Science
File Size : 47. 78 MB
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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 Correlations In Molecules And Solids

Author : Peter Fulde
ISBN : 3540593640
Genre : Science
File Size : 70. 88 MB
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This volume bridges the gap between quantum chemistry and solid-state theory. The text develops new concepts for treating many-body and correlation effects, and 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

Author : Norman H. March
ISBN : 9781489913708
Genre : Science
File Size : 72. 49 MB
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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.

Electron Correlation In Molecules Ab Initio Beyond Gaussian Quantum Chemistry

Author :
ISBN : 9780128030615
Genre : Science
File Size : 51. 78 MB
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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. 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 The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.

Electron Correlation In Small Molecules

Author : Andrew Crowther Hurley
ISBN : 0123624509
Genre : Science
File Size : 29. 15 MB
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Electron Correlations And Materials Properties 2

Author : A. Gonis
ISBN : 9781475737608
Genre : Science
File Size : 76. 86 MB
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This is the second in a series of "International Workshops on Electron Correlations and Materials Properties. " The aim of this series of workshops is to provide a periodic (triennial) and in-depth assessment of advances in the study and understanding of the effects that electron-electron interactions in solids have on the determination of measurable properties of materials. The workshop is structured to include exposure to experimental work, to phenomenology, and to ab initio theory. Since correlation effects are pervasive the workshop aims to concentrate on the identification of promising developing methodology, experimental and theoretical, addressing the most critical frontier issues of electron correlations on the properties of materials. This series of workshops is distinguished from other topical meetings and conferences in that it strongly promotes an interdisciplinary approach to the study of correlations, involving the fields of quantum chemistry, physics, and materials science. The First Workshop was held June 28-July 3, 1998, and a proceedings of the workshop was published by KluwerlPlenum. The Second Workshop was held June 24- 29,2001, and this volume contains the proceedings of that scientific meeting. Through the publications of proceedings, the workshop attempts to disseminate the information gathered during the discussions held at the Workshop to the wider scientific community, and to establish a record of advances in the field.

Electronic Correlation Mapping

Author : Jamal Berakdar
ISBN : 9783527618538
Genre : Science
File Size : 67. 46 MB
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An up-to-date selection of applications of correlation spectroscopy, in particular as far as the mapping of properties of correlated many-body systems is concerned. The book starts with a qualitative analysis of the outcome of the two-particle correlation spectroscopy of localized and delocalized electronic systems as they occur in atoms and solids. The second chapter addresses how spin-dependent interactions can be imaged by means of correlation spectroscopy, both in spin-polarized and extended systems. A further chapter discusses possible pathways for the production of interacting two-particle continuum states. After presenting some established ways of quantifying electronic correlations and pointing out the relationship to correlation spectroscopy, the author addresses in a separate chapter the electron-electron interaction in extended systems, and illustrates the ideas by some applications to fullerenes and metal clusters. The last two chapters are devoted to the investigation of the potential of two-particle spectroscopy in studying ordered surfaces and disordered samples. Throughout the book the material is analyzed using rather qualitative arguments, and the results of more sophisticated theories serve the purpose of endorsing the suggested physical scenarios. The foundations of some of these theories have been presented in a corresponding volume entitled "Concepts of Highly Excited Electronic Systems" (3-527-40335-3).

Spectroscopy Of Biological Molecules Modern Trends

Author : P. Carmona
ISBN : 0792346858
Genre : Science
File Size : 37. 8 MB
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The 1997 European Conference on Spectroscopy of Biological Molecules (ECSBM) is the seventh in a biennial series of conferences devoted to the applications of molecular spectroscopy to biological molecules and related systems. The interest of these conferences rests mainly on the relationship between the structure and physiological activity of biological molecules and related systems of which these molecular species form part. This volume ofECSBM contains articles prepared by the invited lecturers and those making poster presentations at the seventh ECSBM. The reader will find mainly applications of vibrational spectroscopy to protein structure and dynamics, biomembranes, molecular recognition, nucleic acids and other biomolecules and biological systems containing specific chromophors. Biomedical applications of vibrational spectroscopy are expanding rapidly. On the other hand, a significant number of the papers describe applications of other methods, such as NMR, circular dichroism, optical absorption and fluorescence, X-ray absorption and diffraction and other theoretical methods. One aim has been to achieve a well balanced, critically comparative review of recent progress in the field of biomolecular structure, bonding and dynamics based on applications of the above spectroscopic methods. A great part of the contributions included in this volume are devoted to biomedical and biotechnological applications and provide a broadly based account of recent applicationS in this field. The content of this book has been organized in sections corresponding mainly to the different types of biological molecules investigated. This book includes also another section related to theoretical methods where MO calculations of vibrational frequencies dominate clearly the topic.

Electron Correlation In New Materials And Nanosystems

Author : Kurt Scharnberg
ISBN : 9781402056598
Genre : Science
File Size : 20. 16 MB
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The articles collected in this book cover a wide range of materials with extraordinary superconducting and magnetic properties. For many of the materials studied, strong electronic correlations provide a link between these two phenomena which were long thought to be highly antagonistic. The book reports both the progress in our understanding of fundamental physical processes and the advances made towards the development of devices.

Correlated Electrons In Quantum Matter

Author : Peter Fulde
ISBN : 9789814390910
Genre : Science
File Size : 87. 36 MB
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"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.

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