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Author: Horst Köppel Publisher: Springer Science & Business Media ISBN: 3642034322 Category : Science Languages : en Pages : 912
Book Description
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.
Author: Horst Köppel Publisher: Springer Science & Business Media ISBN: 3642034322 Category : Science Languages : en Pages : 912
Book Description
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.
Author: Isaac B. Bersuker Publisher: Springer Science & Business Media ISBN: 3642834795 Category : Science Languages : en Pages : 434
Book Description
Vibronic interaction effects constitute a new field of investigation in the physics and chemistry of molecules and crystals that combines all the phenomena and laws originating from the mixing of different electronic states by nuclear displacements. This field is based on a new concept which goes beyond the separate descriptions of electronic and nuclear motions in the adiabatic approximation. Publications on this topic often appear under the title of the lahn-Thller effect, although the area of application of the new approach is much wider: the term vibronic interaction seems to be more appropriate to the field as a whole. The present understanding of the subject was reached only recently, during the last quarter of a century. As a result of intensive development of the theory and experiment, it was shown that the nonadiabatic mixing of close-in-energy elec tronic states under nuclear displacements and the back influence of the modified electronic structure on the nuclear dynamics result in a series of new effects in the properties of molecules and crystals. The applications of the theory of vibronic in of spectroscopy [including visible, ultraviolet, in teractions cover the full range frared, Raman, EPR, NMR, nuclear quadrupole resonance (NQR), nuclear gam ma resonance (NOR), photoelectron and x-ray spectroscopy], polarizability and magnetic susceptibility, scattering phenomena, ideal and impurity crystal physics and chemistry (including structural as well as ferroelectric phase transitions), stereochemistry and instability of molecular (including biological) systems, mechanisms of chemical reactions and catalysis.
Author: Peter F. Bernath Publisher: Oxford University Press ISBN: 0195346459 Category : Science Languages : en Pages : 454
Book Description
Spectra of Atoms and Molecules, 2nd Edition is designed to introduce advanced undergraduates and new graduate students to the vast field of spectroscopy. Of interest to chemists, physicists, astronomers, atmospheric scientists, and engineers, it emphasizes the fundamental principles of spectroscopy with its primary goal being to teach students how to interpret spectra. The book includes a clear presentation of group theory needed for understanding the material and a large number of excellent problems are found at the end of each chapter. In keeping with the visual aspects of the course, the author provides a large number of diagrams and spectra specifically recorded for this book. Topics such as molecular symmetry, matrix representation of groups, quantum mechanics, and group theory are discussed. Analyses are made of atomic, rotational, vibrational, and electronic spectra. Spectra of Atoms and Molecules, 2nd Edition has been updated to include the 1998 revision of physical constants, and conforms more closely to the recommended practice for the use of symbols and units. This new edition has also added material pertaining to line intensities, which can be confusing due to the dozens of different units used to report line and band strengths. Another major change is in author Peter Bernath's discussion of the Raman effect and light scattering, where the standard theoretical treatment is now included. Aimed at new students of spectroscopy regardless of their background, Spectra of Atoms and Molecules will help demystify spectroscopy by showing the necessary steps in a derivation.
Author: Michael Baer Publisher: John Wiley & Sons ISBN: 0471461512 Category : Science Languages : en Pages : 824
Book Description
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.
Author: S. Langhoff Publisher: Springer Science & Business Media ISBN: 9401101930 Category : Science Languages : en Pages : 451
Book Description
The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.
Author: Philip Bunker Publisher: Elsevier ISBN: 032315025X Category : Science Languages : en Pages : 441
Book Description
Molecular Symmetry and Spectroscopy deals with the use of group theory in quantum mechanics in relation to problems in molecular spectroscopy. It discusses the use of the molecular symmetry group, whose elements consist of permutations of identical nuclei with or without inversion. After reviewing the permutation groups, inversion operation, point groups, and representation of groups, the book describes the use of representations for labeling molecular energy. The text explains an approximate time independent Schrödinger equation for a molecule, as well as the effect of a nuclear permutation or the inversion of E* on such equation. The book also examines the expression for the complete molecular Hamiltonian and the several groups of operations commuting with the Hamiltonian. The energy levels of the Hamiltonian can then be symmetrically labeled by the investigator using the irreducible representations of these groups. The text explains the two techniques to change coordinates in a Schrödinger equation, namely, (1) by using a diatomic molecule in the rovibronic Schrödinger equation, and (2) by a rigid nonlinear polyatomic molecule. The book also explains that using true symmetry, basis symmetry, near symmetry, and near quantum numbers, the investigator can label molecular energy levels. The text can benefit students of molecular spectroscopy, academicians, and investigators of molecular chemistry or quantum mechanics.
Author: Edward Lim Publisher: Elsevier ISBN: 032315414X Category : Science Languages : en Pages : 363
Book Description
Excited States, Volume 3 deals with excited states and covers topics ranging from two-photon molecular spectroscopy in liquids and gases to time evolution of excited molecular states. Product energy distributions in the dissociation of polyatomic molecules are also discussed, along with the mechanism of optical nuclear polarization in molecular crystals and vibronic interactions and luminescence in aromatic molecules with non-bonding electrons. Comprised of five chapters, this volume begins with a didactic treatment of the theory of simultaneous two-photon absorption spectroscopy from the point of view concerned primarily with molecular gases and liquids. The basic theoretical quantity is shown to be an absorption tensor, as contrasted with the absorption vector of one-photon spectroscopy. The next chapter considers the time evolution of a molecular system interacting with a photon wave packet. The theory is applied to handle photon scattering from several physical models for molecular level structure in excited electronic states of polyatomic molecules. The remaining chapters explore various polyatomic decomposition processes and the basic features governing the internal energy distribution of the fragments; optical nuclear polarization in molecular crystals and vibronic interactions; and luminescence in aromatic molecules with non-bonding electrons. This book should be of interest to chemists and molecular physicists.
Author: K. A. Mohamed Publisher: Nova Publishers ISBN: 9781594541711 Category : Mathematics Languages : en Pages : 102
Book Description
High resolution Fourier transform spectra of linear molecules have evoked a great deal of interest during the last several years, which could be seen from the several hundreds of papers published in the journal on the spectra of diatomic and small linear polyatomic molecules. This book describes the advantages of FT Spectroscopy, the techniques employed in absorption and emission spectroscopy, and presents the theoretical models and formulas used in the analyses and interpretation of the spectra. The Perturbations observed in the spectra due to Fermi, Darling-Dennison, Coriolis, and other anharmonic resonances; and vibrational and rotational l-type resonances etc. are discussed with suitable examples. The types of information obtained from FT spectroscopy of two to ten atomic linear molecules, their observed transitions and spectral perturbation etc. are presented along with figures and curves.
Author: David Yarkony Publisher: World Scientific ISBN: 9812832106 Category : Science Languages : en Pages : 766
Book Description
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.
Author: Horst Köppel
Author: Horst Köppel
Author: Isaac B. Bersuker
Author: Peter F. Bernath
Author: Michael Baer
Author: S. Langhoff
Author: Philip Bunker
Author: William Graham Richards
Author: Edward Lim
Author: K. A. Mohamed
Author: David Yarkony