Download or read book Conical Intersections written by Wolfgang Domcke and published by World Scientific. This book was released on 2004 with total page 857 pages. Available in PDF, EPUB and Kindle. Book excerpt: This invaluable book presents a systematic exposition of the current state of knowledge about conical intersections, which has been elaborated in research papers scattered throughout the chemical physics literature.
Download or read book Conical Intersections in Physics written by Jonas Larson and published by Springer Nature. This book was released on 2020-01-31 with total page 168 pages. Available in PDF, EPUB and Kindle. Book excerpt: This concise book introduces and discusses the basic theory of conical intersections with applications in atomic, molecular and condensed matter physics. Conical intersections are linked to the energy of quantum systems. They can occur in any physical system characterized by both slow and fast degrees of freedom - such as e.g. the fast electrons and slow nuclei of a vibrating and rotating molecule - and are important when studying the evolution of quantum systems controlled by classical parameters. Furthermore, they play a relevant role for understanding the topological properties of condensed matter systems. Conical intersections are associated with many interesting features, such as a breakdown of the Born-Oppenheimer approximation and the appearance of nontrivial artificial gauge structures, similar to the Aharonov-Bohm effect. Some applications presented in this book include - Molecular Systems: some molecules in nonlinear nuclear configurations undergo Jahn-Teller distortions under which the molecule lower their symmetry if the electronic states belong to a degenerate irreducible representation of the molecular point group. - Solid State Physics: different types of Berry phases associated with conical intersections can be used to detect topologically nontrivial states of matter, such as topological insulators, Weyl semi-metals, as well as Majorana fermions in superconductors. - Cold Atoms: the motion of cold atoms in slowly varying inhomogeneous laser fields is governed by artificial gauge fields that arise when averaging over the fast internal degrees of freedom of the atoms. These gauge fields can be Abelian or non-Abelian, which opens up the possibility to create analogs to various relativistic effects at low speed.
Download or read book Conical Intersections written by Wolfgang Domcke and published by World Scientific. This book was released on 2011 with total page 769 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of adiabatic electronic potential-energy surfaces, defined by the Born?Oppenheimer approximation, is fundamental to our thinking about chemical processes. Recent computational as well as experimental studies have produced ample evidence that the so-called conical intersections of electronic energy surfaces, predicted by von Neumann and Wigner in 1929, are the rule rather than the exception in polyatomic molecules. It is nowadays increasingly recognized that conical intersections play a key mechanistic role in chemical reaction dynamics. This volume provides an up-to-date overview of the multi-faceted research on the role of conical intersections in photochemistry and photobiology, including basic theoretical concepts, novel computational strategies as well as innovative experiments. The contents and discussions will be of value to advanced students and researchers in photochemistry, molecular spectroscopy and related areas.
Download or read book Beyond Born Oppenheimer written by Michael Baer and published by John Wiley & Sons. This book was released on 2006-03-31 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Role of Degenerate States in Chemistry Volume 124 written by Michael Baer and published by John Wiley & Sons. This book was released on 2003-04-14 with total page 824 pages. Available in PDF, EPUB and Kindle. Book excerpt: Edited by Nobel Prize-winner Ilya Prigogine and renowned authority Stuart A. Rice, the Advances in Chemical Physics series provides a forum for critical, authoritative evaluations in every area of the discipline. In a format that encourages the expression of individual points of view, experts in the field present comprehensive analyses of subjects of interest. This stand-alone, special topics volume, edited by Gert D. Billing of the University of Copenhagen and Michael Baer of the Soreq Nuclear Research Center in Yavne, Israel, reports recent advances on the role of degenerate states in chemistry. Volume 124 collects innovative papers on "Complex States of Simple Molecular Systems," "Electron Nuclear Dynamics," "Conical Intersections and the Spin-Orbit Interaction," and many more related topics. Advances in Chemical Physics remains the premier venue for presentations of new findings in its field.
Download or read book Geometric Phases In Physics written by Alfred Shapere and published by World Scientific. This book was released on 1989-07-01 with total page 527 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the last few years, considerable interest has been focused on the phase that waves accumulate when the equations governing the waves vary slowly. The recent flurry of activity was set off by a paper by Michael Berry, where it was found that the adiabatic evolution of energy eigenfunctions in quantum mechanics contains a phase of geometric origin (now known as ‘Berry's phase’) in addition to the usual dynamical phase derived from Schrödinger's equation. This observation, though basically elementary, seems to be quite profound. Phases with similar mathematical origins have been identified and found to be important in a startling variety of physical contexts, ranging from nuclear magnetic resonance and low-Reynolds number hydrodynamics to quantum field theory. This volume is a collection of original papers and reprints, with commentary, on the subject.
Download or read book Multiconfigurational Quantum Chemistry written by Björn O. Roos and published by John Wiley & Sons. This book was released on 2016-08-08 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book The Jahn Teller Effect written by Horst Köppel and published by Springer Science & Business Media. This book was released on 2009-12-08 with total page 912 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Quantum Dissipative Systems written by Ulrich Weiss and published by World Scientific. This book was released on 2012 with total page 587 pages. Available in PDF, EPUB and Kindle. Book excerpt: Starting from first principles, this book introduces the fundamental concepts and methods of dissipative quantum mechanics and explores related phenomena in condensed matter systems. Major experimental achievements in cooperation with theoretical advances have brightened the field and brought it to the attention of the general community in natural sciences. Nowadays, working knowledge of dissipative quantum mechanics is an essential tool for many physicists. This book -- originally published in 1990 and republished in 1999 and and 2008 as enlarged second and third editions -- delves significantly deeper than ever before into the fundamental concepts, methods and applications of quantum dissipative systems.This fourth edition provides a self-contained and updated account of the quantum mechanics of open systems and offers important new material including the most recent developments. The subject matter has been expanded by about fifteen percent. Many chapters have been completely rewritten to better cater to both the needs of newcomers to the field and the requests of the advanced readership. Two chapters have been added that account for recent progress in the field. This book should be accessible to all graduate students in physics. Researchers will find this a rich and stimulating source.
Download or read book Quantum Chemistry and Dynamics of Excited States written by Leticia González and published by John Wiley & Sons. This book was released on 2021-02-01 with total page 52 pages. Available in PDF, EPUB and Kindle. Book excerpt: An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantum Chemistry and Dynamics of Excited States: Methods and Applications reports the most updated and accurate theoretical techniques to treat electronic excited states. From methods to deal with stationary calculations through time-dependent simulations of molecular systems, this book serves as a guide for beginners in the field and knowledge seekers alike. Taking into account the most recent theory developments and representative applications, it also covers the often-overlooked gap between theoretical and computational chemistry. An excellent reference for both researchers and students, Excited States provides essential knowledge on quantum chemistry, an in-depth overview of the latest developments, and theoretical techniques around the properties and nonadiabatic dynamics of chemical systems. Readers will learn: ● Essential theoretical techniques to describe the properties and dynamics of chemical systems ● Electronic Structure methods for stationary calculations ● Methods for electronic excited states from both a quantum chemical and time-dependent point of view ● A breakdown of the most recent developments in the past 30 years For those searching for a better understanding of excited states as they relate to chemistry, biochemistry, industrial chemistry, and beyond, Quantum Chemistry and Dynamics of Excited States provides a solid education in the necessary foundations and important theories of excited states in photochemistry and ultrafast phenomena.
Download or read book Edward Teller Centennial Symposium written by Stephen B. Libby and published by World Scientific. This book was released on 2010 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: This proceedings volume, for the symposium in honor of Edward Teller's 100th anniversary, focuses on Teller's scientific legacy. This legacy includes some of the most fundamental insights into the quantum behaviors of molecules, nuclei, surfaces, solid state and spin systems and plasmas. Many of these are brand names from the canon of 20th-century physics and chemistry, such as Gamow-Teller transitions, the Jahn-Teller effect, Goldhaber-Teller resonances, the Lyddane-Sachs-Teller relation, the Brunauer-Emmett-Teller equation of state, and the MR2T2 algorithm. All of these have had a profound and continuing impact on science - as has Teller's work on level crossing, diamagnetism, and plasma and statistical physics. The legacies of these discoveries are discussed in this volume, as is Teller's role in applied science and education.
Download or read book Modern Electronic Structure Theory written by D. R. Yarkony and published by World Scientific. This book was released on 1995 with total page 785 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Download or read book Nonadiabatic Transition written by Hiroki Nakamura and published by World Scientific. This book was released on 2012 with total page 515 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nonadiabatic transition is a highly multidisciplinary concept and phenomenon, constituting a fundamental mechanism of state and phase changes in various dynamical processes of physics, chemistry and biology, such as molecular dynamics, energy relaxation, chemical reaction, and electron and proton transfer. Control of molecular processes by laser fields is also an example of time-dependent nonadiabatic transition. In this new edition, the original chapters are updated to facilitate enhanced understanding of the concept and applications. Three new chapters OCo comprehension of nonadiabatic chemical dynamics, control of chemical dynamics, and manifestation of molecular functions OCo are also added.
Download or read book Problem Solving in Theoretical Physics written by Yury M. Belousov and published by John Wiley & Sons. This book was released on 2020-07-06 with total page 528 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Problem Solving in Theoretical Physics" helps students mastering their theoretical physics courses by posing advanced problems and providing their solutions - along with discussions of their physical significance and possibilities for generalization and transfer to other fields.
Download or read book Non Hermitian Quantum Mechanics written by Nimrod Moiseyev and published by Cambridge University Press. This book was released on 2011-02-17 with total page 409 pages. Available in PDF, EPUB and Kindle. Book excerpt: Non-Hermitian quantum mechanics (NHQM) is an important alternative to the standard (Hermitian) formalism of quantum mechanics, enabling the solution of otherwise difficult problems. The first book to present this theory, it is useful to advanced graduate students and researchers in physics, chemistry and engineering. NHQM provides powerful numerical and analytical tools for the study of resonance phenomena - perhaps one of the most striking events in nature. It is especially useful for problems whose solutions cause extreme difficulties within the structure of a conventional Hermitian framework. NHQM has applications in a variety of fields, including optics, where the refractive index is complex; quantum field theory, where the parity-time (PT) symmetry properties of the Hamiltonian are investigated; and atomic and molecular physics and electrical engineering, where complex potentials are introduced to simplify numerical calculations.
Download or read book Principles and Applications of Quantum Chemistry written by V.P. Gupta and published by Academic Press. This book was released on 2015-10-15 with total page 480 pages. Available in PDF, EPUB and Kindle. Book excerpt: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
Download or read book Noncommutative Geometry Quantum Fields and Motives written by Alain Connes and published by American Mathematical Soc.. This book was released on 2019-03-13 with total page 810 pages. Available in PDF, EPUB and Kindle. Book excerpt: The unifying theme of this book is the interplay among noncommutative geometry, physics, and number theory. The two main objects of investigation are spaces where both the noncommutative and the motivic aspects come to play a role: space-time, where the guiding principle is the problem of developing a quantum theory of gravity, and the space of primes, where one can regard the Riemann Hypothesis as a long-standing problem motivating the development of new geometric tools. The book stresses the relevance of noncommutative geometry in dealing with these two spaces. The first part of the book deals with quantum field theory and the geometric structure of renormalization as a Riemann-Hilbert correspondence. It also presents a model of elementary particle physics based on noncommutative geometry. The main result is a complete derivation of the full Standard Model Lagrangian from a very simple mathematical input. Other topics covered in the first part of the book are a noncommutative geometry model of dimensional regularization and its role in anomaly computations, and a brief introduction to motives and their conjectural relation to quantum field theory. The second part of the book gives an interpretation of the Weil explicit formula as a trace formula and a spectral realization of the zeros of the Riemann zeta function. This is based on the noncommutative geometry of the adèle class space, which is also described as the space of commensurability classes of Q-lattices, and is dual to a noncommutative motive (endomotive) whose cyclic homology provides a general setting for spectral realizations of zeros of L-functions. The quantum statistical mechanics of the space of Q-lattices, in one and two dimensions, exhibits spontaneous symmetry breaking. In the low-temperature regime, the equilibrium states of the corresponding systems are related to points of classical moduli spaces and the symmetries to the class field theory of the field of rational numbers and of imaginary quadratic fields, as well as to the automorphisms of the field of modular functions. The book ends with a set of analogies between the noncommutative geometries underlying the mathematical formulation of the Standard Model minimally coupled to gravity and the moduli spaces of Q-lattices used in the study of the zeta function.
