The Jahn Teller Effect And Beyond
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The Jahn Teller Effect
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Author : Horst Köppel
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-12-08
The Jahn Teller Effect written by Horst Köppel 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 2009-12-08 with Science categories.
The Jahn-Teller effect continues to be a paradigm for structural instabilities and molecular dynamical processes. This volume provides a survey of the current Jahn-Teller interactions at the interface of quantum chemistry and condensed matter physics.
The Theory Of The Jahn Teller Effect
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Author : Arnout Ceulemans
language : en
Publisher: Springer Nature
Release Date : 2022-09-29
The Theory Of The Jahn Teller Effect written by Arnout Ceulemans and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-09-29 with Science categories.
This book provides a comprehensive discussion of the Jahn-Teller Effect (JTE), focusing on the boson-fermion interaction. While current research is concerned with measuring and calculating ever more sophisticated and complex manifestations of the JT effect, the present volume takes away the epicycles of the theory and focuses on the symmetry dilemma at its core. When fermions and bosons meet, they get entangled and form a new dynamic reality. According to the rules of Molecular Symmetry, this reality is limited to a small set of patterns, with degeneracy cardinalities: 2, 3, 4, 5, and 6. The novelty of the book is that it adopts a unique mathematical technique, known as the Bargmann-Fock representation, and treats all degeneracies in detail. So far, this method was only applied to the simplest doublet case therefore its extension to the entire range of cases offers a new unified perspective. This volume will help the reader acquire a clear understanding of the JT effect, discover its universal mechanism and it will be a great tool for researchers and graduates working on this topic.
Vibronic Interactions And The Jahn Teller Effect
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Author : Mihail Atanasov
language : en
Publisher: Springer Science & Business Media
Release Date : 2011-11-23
Vibronic Interactions And The Jahn Teller Effect written by Mihail Atanasov 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 2011-11-23 with Science categories.
The concepts of the Jahn-Teller effect and vibronic coupling are being applied to more and more systems in both chemistry and physics. Aspects of structural chemistry such as the distortion of the nuclear framework to a lower-symmetry conformation have received an increasing attention, as well as the dynamics on the coupled potential energy surfaces. The Jahn-Teller intersections are now recognized as prototype cases of conical intersections where the nuclear motion is known to be inherently nonadiabatic in nature and interchanges freely between the different potential energy surfaces. In the condensed phase especially, the significance of the Jahn-Teller effect has been increasingly appreciated, following the discovery of superconductivity in the fullerides and of very large ("colossal") magnetoresistance in the manganite perovskites. Indeed, these materials are particularly challenging since the Jahn-Teller interaction competes with electronic correlation effects. Vibronic Interactions and the Jahn-Teller Effect: Theory and Applications provides an in-depth discussion of the Jahn-Teller effect and vibronic interactions as reflected by the contributions presented at the XX International Conference on the Jahn-Teller effect, Fribourg, Switzerland, 2010. The following topics have been treated in a clear and concise way: • Complex topologies of Jahn-Teller effect and conical intersections • Multi-state vibronic interactions on strongly coupled potential energy surfaces • Interplay of vibronic and spin-orbit coupling • Strain in Jahn-Teller systems and cooperative Jahn-Teller effect • Orbital ordering and its relation to ferromagnetism, ferroelectricity and molecular magnets • The Jahn-Teller effect in icosahedral systems • The Jahn-Teller effect and high temperature superconductivity This book is of interest to a wide audience including academic and industrial theoretical and experimental physicists, chemists, spectroscopists, and crystallographers.
Beyond Born Oppenheimer
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Author : Michael Baer
language : en
Publisher: John Wiley & Sons
Release Date : 2006-03-31
Beyond Born Oppenheimer written by Michael Baer and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2006-03-31 with Science categories.
INTRODUCING A POWERFUL APPROACH TO DEVELOPING RELIABLE QUANTUM MECHANICAL TREATMENTS OF A LARGE VARIETY OF PROCESSES IN MOLECULAR SYSTEMS. The Born-Oppenheimer approximation has been fundamental to calculation in molecular spectroscopy and molecular dynamics since the early days of quantum mechanics. This is despite well-established fact that it is often not valid due to conical intersections that give rise to strong nonadiabatic effects caused by singular nonadiabatic coupling terms (NACTs). In Beyond Born-Oppenheimer, Michael Baer, a leading authority on molecular scattering theory and electronic nonadiabatic processes, addresses this deficiency and introduces a rigorous approach--diabatization--for eliminating troublesome NACTs and deriving well-converged equations to treat the interactions within and between molecules. Concentrating on both the practical and theoretical aspects of electronic nonadiabatic transitions in molecules, Professor Baer uses a simple mathematical language to rigorously eliminate the singular NACTs and enable reliable calculations of spectroscopic and dynamical cross sections. He presents models of varying complexity to illustrate the validity of the theory and explores the significance of the study of NACTs and the relationship between molecular physics and other fields in physics, particularly electrodynamics. The first book of its king Beyond Born-Oppenheimer: * Presents a detailed mathematical framework to treat electronic NACTs and their conical intersections * Describes the Born-Oppenheimer treatment, including the concepts of adiabatic and diabatic frameworks * Introduces a field-theoretical approach to calculating NACTs, which offers an alternative to time-consuming ab initio procedures * Discusses various approximations for treating a large system of diabatic Schrödinger equations * Presents numerous exercises with solutions to further clarify the material being discussed Beyond Born-Oppenheimer is required reading for physicists, physical chemists, and all researchers involved in the quantum mechanical study of molecular systems.
The Jahn Teller Effect And Vibronic Interactions In Modern Chemistry
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Author : Isaac Bersuker
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
The Jahn Teller Effect And Vibronic Interactions In Modern Chemistry written by Isaac Bersuker 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 2013-06-29 with Science categories.
The first half of the title of this book may delude the uninitiated reader. The term '"Jahn-Teller effect," taken literally, refers to a special effect inherent in particular molecular systems. Actually, this term implies a new approach to the general problem of correlations between the structure and properties of any molecular polyatomic system, including solids. Just such a new approach, or concept (in some sense, a new outlook or even a new way of thinking), which leads not to one special effect but to a series of different effects and laws, is embodied in the many ( ~ 4000) studies devoted to the investigation and application of the Jahn-Teller effect. The term "vibronic interactions" seems to be most appropriate to the new concept, and this explains the origin of the second half of the title. The primary objective of this book is to present a systematic develop ment of the concept of vibronic interactions and its applications, and to illustrate its possibilities and significance in modern chemistry. In the first three chapters (covering about one-third of the book) the theoretical background of the vibronic concept and Jahn-Teller effect is given. The basic ideas are illustrated fully, although a comprehensive presentation of the theory with all related mathematical deductions is beyond the scope of this book. In the last three chapters the applications of theory to spectro scopy, stereochemistry and crystal chemistry, reactivity, and catalysis, are illustrated by a series of effects and laws.
Practical Aspects Of Computational Chemistry I
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Author : Jerzy Leszczynski
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-02
Practical Aspects Of Computational Chemistry I written by Jerzy Leszczynski 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 2012-01-02 with Science categories.
Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Magnetic Storage Systems Beyond 2000
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Author : G.C. Hadjipanayis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Magnetic Storage Systems Beyond 2000 written by G.C. Hadjipanayis 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 Technology & Engineering categories.
An up-to-date and comprehensive review of magnetic storage systems, including particulate and rigid media, magnetic heads, tribology, signal processing spintronics, and other, future systems. A thorough theoretical discussion supplements the experimental and technical aspects. Each section commences with a tutorial paper, which is followed by technical discussions of current research in the area. Written at a level suitable for advanced graduate students.
Magnetic Functions Beyond The Spin Hamiltonian
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Author : R. Boca
language : en
Publisher: Springer Science & Business Media
Release Date : 2006-01-12
Magnetic Functions Beyond The Spin Hamiltonian written by R. Boca 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 2006-01-12 with Science categories.
Using the spin-Hamiltonian formalism, this work introduces the magnetic parameters through the components of the Lambda-tensor involving only the matrix elements of the angular momentum operator. It presents theoretical formulae necessary in performing the energy level calculations for a multi-term system.
Lithium Ion Batteries And Beyond
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Author : K. Amine
language : en
Publisher: The Electrochemical Society
Release Date : 2015-07-29
Lithium Ion Batteries And Beyond written by K. Amine and has been published by The Electrochemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-07-29 with Science categories.
The Jahn Teller Effect And Beyond
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Author : Isaak Borisovich Bersuker
language : en
Publisher:
Release Date : 2008
The Jahn Teller Effect And Beyond written by Isaak Borisovich Bersuker and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Jahn-Teller effect categories.