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 Excited States and Photochemistry of Organic Molecules written by Martin Klessinger and published by VCH Publishers. This book was released on 1995 with total page 576 pages. Available in PDF, EPUB and Kindle. Book excerpt: A significantly updated translation of Lichtabsorption und Photochemie Organischer Molekule, published by VCH in 1989. A graduate textbook that provides a qualitative description of electronic excitation in organic molecules and of the associated spectroscopy, photophysics, and photochemistry. The treatment is non- mathematical and emphasizes the use of simple qualitative models for developing an intuitive feeling for the course of photophysical and photochemical processes in terms of potential energy hypersurfaces. Special attention is paid to recent developments, particularly to the role of conical intersections. Annotation copyright by Book News, Inc., Portland, OR
Download or read book Density Functional Methods for Excited States written by Nicolas Ferré and published by Springer. This book was released on 2015-08-26 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
Download or read book Theoretical Chemistry for Electronic Excited States written by Michael A. Robb and published by Royal Society of Chemistry. This book was released on 2018-03-02 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: This reference is ideal for both theorists and experimentalists working in theoretical chemistry, electronic structure and molecular dynamics
Download or read book Higher Excited States of Polyatomic Molecules written by Melvin Robin and published by Elsevier. This book was released on 2012-12-02 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.
Download or read book Excited States V5 written by Edward Lim and published by Elsevier. This book was released on 2012-12-02 with total page 217 pages. Available in PDF, EPUB and Kindle. Book excerpt: Excited States, Volume 5 consists of three concise and detailed chapters. These chapters cover the topics of excited-state potential surfaces of polyatomic molecules; vibronic spectroscopy of benzene; and quantum statistical mechanical (QSM) theory for molecular relaxation processes. Chapter 1 discusses excited-state potential surfaces with focus on ab initio calculations. Simple methods of computational schemes are also presented in this chapter. Chapter 2 reviews the excited electronic states of benzene. This chapter also includes the basic theory of benzene electronic excitations and the various types of spectroscopy (absorption, vibrational Raman, and electron-impact). Lastly, Chapter 3 presents a unified QSM theory, phenomenological theory of irreversible thermodynamics, and kinetics. The focus of QSM theory is on the nonlinear domain and is used to construct a nonlinear theory for the relaxation of excited molecules that are electric, vibrating, and rotating. This volume is a good reference for students and researchers studying in the field of chemistry and physics.
Download or read book Lasers and Excited States of Rare Earths written by Renata Reisfeld and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: The possibility of stimulated light emission was discussed by Einstein in 1917, eight years before the quantum-mechanical description of energy levels of many-electron systems. Though it is imperative to use samples having optical properties greatly different from the stan dard continuous spectrum of opaque objects ("black body" radia tion) it is not always necessary to restrict the study to monatomic entities. Thus, spectral lines can be obtained (in absorption and in emission) from lanthanide compounds, containing from one to thir teen 4f electrons going from trivalent cerium to ytterbium, that are nearly as sharp as the ones from gaseous atoms. However, the presence of adjacent atoms modifies the simple picture of an isolated electron configuration, and in particular, it is possible to pump excited levels efficiently by energy transfer from species with intense absorption bands, such as the inter-shell transitions of other lanthanides and of thallium(I), lead(II) and bismuth(III) or the electron transfer bands of the uranyl ion or other complexes. On the other hand, it is possible to diminuish the mUlti-phonon relaxation (competing with sharp line luminescence) by selecting vitreous or crystalline materials with low phonon energies. Obviously, one cannot circumvent the conservation of energy by lasers, but they may have unprecedented consequences for the future by allowing nuclear fusion of light elements, effects of non-linear optics and time-resolved spectroscopy, besides the more conventional applications of coherent light beams with negligible angular extension.
Download or read book Excited States written by Edward C. Lim and published by Elsevier. This book was released on 2013-10-22 with total page 237 pages. Available in PDF, EPUB and Kindle. Book excerpt: Excited States, Volume 6 is a collection of papers that discusses the excited states of molecules. The first paper discusses the linear polyene electronic structure and potential surfaces, considering both the theoretical and experimental approaches in such electronic states. This paper also reviews the theory of electronic structure and cites some experimental techniques on polyene excitations, polyene spectroscopic phenomenology, and those involving higher states of polyenes and their triplet states. Examples of these experimental studies of excited states involve the high-resolution one-photon absorption spectroscopy, two photon spectroscopy, electron-impact spectroscopy, radiationless decay rates, and radiative fluorescence lifetimes. Some unresolved issues remain such as the resolution of the excited-state order in butadiene and the two isomers of hexatriene. The second paper describes the energetics and scattering of mixed exciton-photon states in organic crystals that should form part of future research in the field of organic solids. This paper also describes mixed exciton-photon states, exciton-phonon, and polariton-phonon scattering. This book will prove invaluable for researchers and scientists working in the field of micro-chemistry and solid-state physics.
Download or read book Optical Properties of Excited States in Solids written by Baldassare di Bartolo and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 749 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents an account of the course "Optical Properties of Excited States in Solids" held in Erice, Italy, from June 16 to 3D, 1991. This meeting was organized by the International School of Atomic and Molecular Spectroscopy of the "Ettore Majorana" Centre for Scientific Culture. The purpose of this course was to present physical models, mathematical formalisms and experimental techniques relevant to the optical properties of excited states in solids. Some active physical species, such as ions or radicals, could survive indefinitely if they were completely 'isolated in space. Other active species, such as excited molecular and solid-state systems, are inherently unstable, even in isolation, due to the spontaneous mechanisms that may convert their excitation energies into radiation or heat. Physical parameters that may be used to characterize these excited systems are the localization or delocalization, and the coherence or incoherence, of their state excitations. In solids the excited states, whether they are localized (as for impurities in insulators) or delocalized (as they may occur in semiconductors), are relevant in several regards. Their de-excitation is extremely sensitive to the nature of the excitations of the systems, and a study of the de-excitation processes can yield a variety of information. For example, the excited states may represent the initial condition of the onset of such processes as Stokes-shifted emission, hot luminescence, symmetry-dependent Jahn-Teller and scattering processes, tunneling processes, energy transfer to like and unlike centers, superradiance, coherent radiation, and excited state absorption.
Download or read book Excited States in Quantum Chemistry written by Cleanthes A. Nicolaides and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt: It is undoubtedly true that much of the progress in the quant~m theory of matter is due to the remarkable success of the independent particle model (IPM)--especially in describing ground states. However, the accurate experimental results of the last 10 years or so, on a variety of spectroscopic phenomena and chemical processes which involve the Excited State, and the related failure of the IPM to reproduce accurately--in many cases, even qualitatively--the observed data, have sent to theorists a clear message: There is need to create and/or apply general and useful approaches to the many-electron problem of the excited state which go beyond the IPM, treat electron correlation and relativity and explain or predict all relevant physical or chemical information with consistent accuracy. This book contains articles devoted mainly to some of the most important new developments in Quantum Chemistry concerning the theoretical foundations and the computational implementation of many-body approaches to the quantitative and detailed under standing of the electronic excited states of atoms, molecules and solids. Furthermore, it contains experimental and pheno menological articles on Photoelectron and Auger spectroscopy, Lifetime measurements and Organic Photochemistry. In combination or individually, these articles constitute a good description of some current theoretical and experimental work on the electronic structure and spectroscopy of atoms, molecules, polymers, surfaces, metal oxides and amorphous solids.
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 2020-11-10 with total page 688 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 Excited States of Proteins and Nucleic Acids written by Robert Steiner and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 497 pages. Available in PDF, EPUB and Kindle. Book excerpt: The choice of title for this collective volume reflects the desire of the editors and authors to make clear that, while the bulk of the material is concerned with luminescence, other aspects of the excited state have not been excluded. In the five years which have elapsed since the publication of the classical monograph of Konev, a wealth of new information has ap peared on the emission properties of proteins and nucleic acids. Indeed, since new publications in this area appear to be proliferating in a geometric ratio, this may be the last opportunity to provide a comprehensive summary of the field in a book which is not of prohibitive length. This is what we have attempted to do here. While the orientation of each chapter naturally reflects the interests and point of view of the author, there has been a general effort to present .a critical assessment of existing results and interpretations, rather than a compendium of data with minimal comment. Finally, it should be stressed that the rapid evolution of the subject at the time of writing makes it inevitable that the book will age to some degree over the next few years, although this will occur at differing rates for the various chapters. We can only hope that most of the material in this interim summing-up will prove resistant to the erosion of time and provide a solid foundation for further progress.
Download or read book Rearrangements in Ground and Excited States written by Paul de Mayo and published by Academic Press. This book was released on 2013-10-22 with total page 622 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rearrangements in Ground and Excited States, Volume 3 presents essays on the chemical generation of excited states; the cis-trans isomerization of olefins; and the photochemical rearrangements in trienes. The book also includes essays on the zimmerman rearrangements; the photochemical rearrangements of enones; the photochemical rearrangements of conjugated cyclic dienones; and the rearrangements of the benzene ring. Essays on the photo rearrangements via biradicals of simple carbonyl compounds; the photochemical rearrangements involving three-membered rings or five-membered ring heterocycles; and the photochemical rearrangements of coordination compounds are also covered. Chemists and people involved in the study of the rearrangements in ground and excited states will find the book invaluable.
Download or read book Structure and Dynamics of Electronic Excited States written by Jaan Laane and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 324 pages. Available in PDF, EPUB and Kindle. Book excerpt: New developments in laser technology and theoretical modeling has allowed physicists to control chemical reactions using lasers and to attain an understanding of the underlying photochemical reaction mechanism. The book gives an up-to-date presentation of this research area, covering time-resolved spectroscopy and the dynamical behavior of electronically excited states.
Download or read book Relaxations of Excited States and Photo Induced Phase Transitions written by Keiichiro Nasu and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 279 pages. Available in PDF, EPUB and Kindle. Book excerpt: Message from The Taniguchi Foundation Dr. Kanamori, Distinguished Guests and Friends: The Taniguchi Foundation wishes to welcome the participants of the nine teenth International Symposium on the Theory of Condensed Matter, who have come from within this country and from different parts of the world. The concept of the symposium is unique in that participants, both Japanese and from abroad, are limited in number to small discussion groups, and live together, although for a short period, as a close-knit community. We feel that this kind of environment will assist towards the strengthening of understanding and the fostering of friendship among the attendees. It is easy to talk about, but difficult to realize, the ideal of international friendship and understanding in a world which is steadily growing smaller. So far, the Foundation has invited a total of 149 participants in this division from 24 foreign countries and 299 participants from Japan. And we are all friends. We hope and trust that even after they have reached the heights of academic fame during the coming decades, the participants will continue to join forces and help to forge closer bonds of friendship and cooperation that will make major contributions not only to academia, but also towards world peace and the welfare of mankind. We hope that all the participants will return home with warm memories of both this symposium and the pleasant times that we have shared. Thank you.
Download or read book Chemical and Biological Generation of Excited States written by Waldermar Adam and published by Elsevier. This book was released on 2012-12-02 with total page 401 pages. Available in PDF, EPUB and Kindle. Book excerpt: Chemical and Biological Generation of Excited States discusses major aspects of chemical and biological generation of electronic excitation. This book is organized into 11 chapters that focus on both chemi- and bioenergized processes. This book first discusses some of the fundamental aspects of the description of excited state behavior in condensed media. It then examines the field of gas-phase dioxetane chemiluminescence both by itself and in relation to solution-phase studies. The presented analysis is based on statistical mechanics and supported by a very simple limiting case calculation. Chapter 4 describes the state-of-the-art of how excitation yields are determined experimentally in chemienergized processes. This is followed by a discussion on activation parameters and stability trends, focusing on solution-phase data. Chapters 6 and 7 examine solution-phase chemiluminescence resulting from high-energy electron-transfer reaction, often involving aromatic radical ions, and the mechanism of excitation step. The next chapters cover the generation of electronic excited states in bioluminescence and the evaluation of luminescent oxidation mechanisms using oxygen tracers. The chapters also explain the formation of electronically excited products in dark biological processes and the mechanism of chemiexcitation as it relates to redox metabolism. Specific examples of biological oxygenation reactions yielding luminescence are also presented. Furthermore, this book discusses the concept and applicability of chemiluminigenic probing for the quantification and differentiation of oxygenation activities in mammalian phagocytes. The concluding chapter is devoted to the possible formation of singlet oxygen in various systems and processes that mimic singlet oxygen reactions. The book intends to attract young scientists as well as established research workers to broaden the horizons of this rapidly growing and potentially very important field.
Download or read book Excited States in Organic Chemistry and Biochemistry written by Bernard Pullman and published by Springer Science & Business Media. This book was released on 1977-10-31 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 10th Jerusalem Symposium on Quantum Chemistry and Biochemistry held in Jerusalem, Israel, March 28-31, 1977
