Download or read book Non Linear Optical Response in Atoms Molecules and Clusters written by Vladimir Goncharov and published by Springer. This book was released on 2014-09-05 with total page 74 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of this brief is to present, in sufficient detail, a non-perturbative technique for calculating optical hyperpolarizabilities. The ability to efficiently compute hyperpolarizabilities, for a variety of different molecular systems, makes this brief invaluable for those engaged in the computational design of new electro-optical materials. The resulting computation is very predictable and suitable for automation, in contrast to perturbative methods that typically rely on iterative methods. The methodology which is wholly applicable to atoms, molecules, clusters (and with some modifications) to condensed matter, is described and illustrated at a level that is accessible to theoreticians and supplemented with details that should be of interest to practitioners.
Download or read book Atoms Molecules and Clusters in Electric Fields written by George Maroulis and published by Imperial College Press. This book was released on 2006 with total page 694 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties.
Download or read book Non Linear Optical Properties of Matter written by Manthos G. Papadopoulos and published by Springer Science & Business Media. This book was released on 2007-05-03 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book assembles both theory and application in this field, to interest experimentalists and theoreticians alike. Part 1 is concerned with the theory and computing of non-linear optical (NLO) properties while Part 2 reviews the latest developments in experimentation. This book will be invaluable to researchers and students in academia and industry, particularlrly to anyone involved in materials science, theoretical and computational chemistry, chemical physics, and molecular physics.
Download or read book Atomic and Molecular Nonlinear Optics Theory Experiment and Computation written by G. Maroulis and published by IOS Press. This book was released on 2011-05-27 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: The papers collected in this volume in honor of the late Stanisław Kielich cover an impressive range of modern subjects in molecular science. These subjects include, among others, the nonlinear optics of molecules, new approaches to the electronic structure of large molecules, the properties of carbon nanotubes, fluorescence polarization spectroscopy, computational studies of systems of fundamental interest to collision-induced spectroscopy, the simulation of fluids, NLO materials, chemical bonding in complex molecules, the NLO properties of functionalized DNA and the magnetic properties of molecular assemblies. Written by eminent specialists, the papers should offer valuable guidance to a wide community of graduate students and researchers.
Download or read book Nonlinear Optical Properties of Materials written by Rashid A. Ganeev and published by Springer. This book was released on 2013-01-09 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is mostly concerned on the experimental research of the nonlinear optical characteristics of various media, low- and high-order harmonic generation in different materials, and formation, and nonlinear optical characterization of clusters. We also demonstrate the inter-connection between these areas of nonlinear optics. Nonlinear optical properties of media such as optical limiting can be applied in various areas of science and technology. To define suitable materials for these applications, one has to carefully analyse the nonlinear optical characteristics of various media, such as the nonlinear refractive indices, coefficients of nonlinear absorption, saturation absorption intensities, etc. Knowing the nonlinear optical parameters of materials is also important for describing the propagation effects, self-interaction of intense laser pulses, and optimisation of various nonlinear optical processes. Among those processes one can admit the importance of the studies of the frequency conversion of coherent laser sources. The area of interest for nonlinear optical characterization of materials is also closely related with new field of nanostructures formation and application during laser-matter interaction. We show how the nonlinear optical analysis of materials leads to improvement of their high-order nonlinear optical response during the interaction with strong laser fields. Ablation-induced nanoparticles formation is correlated with their applications as efficient sources of coherent short-wavelength photons. From other side, recent achievements of harmonic generation in plasmas are closely related with the knowledge of the properties of materials in the laser plumes. All of these studies are concerned with the low-order nonlinear optical features of various materials. The novelty of the approach developed in present book is related with inter-connection of those studies with each other.
Download or read book Computational Aspects of Electric Polarizability Calculations written by George Maroulis and published by IOS Press. This book was released on 2006 with total page 542 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers such subjects as: Ab initio and Density functional theory calculations of electric polarizability and hyperpolarizability, intermolecular forces, aromaticity, electric properties of solvated molecules, NLO materials, Raman intensities, polarizability of metal and semiconductor clusters, relativistic effects on electric properties, and more.
Download or read book Liganded silver and gold quantum clusters Towards a new class of nonlinear optical nanomaterials written by Rodolphe Antoine and published by Springer. This book was released on 2017-10-04 with total page 82 pages. Available in PDF, EPUB and Kindle. Book excerpt: Metallic quantum clusters belonging to intermediate size regime between two and few hundred of atoms, represent unique building blocks of new materials. Nonlinear optical (NLO) characteristics of liganded silver and gold quantum clusters reveal remarkable features which can be tuned by size, structure and composition. The two-photon absorption cross sections of liganded noble metal quantum clusters are several orders of magnitude larger than that of commercially-available dyes. Therefore, the fundamental photophysical understanding of those two-photon processes in liganded clusters with few metal atoms deserve special attention, in particularly in context of finding the mechanisms responsible for these properties. A broad range of state-of-the-art experimental methods to determine nonlinear optical properties (i.e. two-photon absorption, two-photon excited fluorescence and second harmonic generation) of quantum clusters are presented. The experimental setup and underlying physical concepts are described. Furthermore, the theoretical models and corresponding approaches are used allowing to explain the experimental observations and simultaneously offering the possibility to deduce the key factors necessary to design new classes of nanoclusters with large NLO properties. Additionally, selected studied cases of liganded silver and gold quantum clusters with focus on their NLO properties will be presented as promising candidates for applications in imaging techniques such as fluorescence microscopy or Second-Harmonic Generation microscopy.
Download or read book Electric dipole Polarizabilities of Atoms Molecules and Clusters written by Keith D. Bonin and published by World Scientific. This book was released on 1997 with total page 274 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an in-depth review of experiment and theory on electric-dipole polarizabilities. It is broad in scope, encompassing atomic, molecular, and cluster polarizabilities. Both static and dynamic polarizabilities are treated (in the absence of absorption) and a full tensor picture of the polarizability is used. Traditional experimental techniques for measuring electric polarizabilities are described in detail. Recently developed experimental methods, including light forces, position-sensitive time-of-flight deflection, and atom interferometry, are also extensively discussed. Theoretical techniques for calculating polarizabilities are reviewed, including a discussion on the use of Gaussian basis sets. Many important comparisons between theory and experiment are summarized in an extensive set of tables of polarizabilities of important atoms, molecules, and clusters. Applications of polarizabilities to many areas of chemistry and physics are described, including optics, chemical structure, interactions of gases and particles with surfaces, and the interaction of molecules with light. The emphasis is on a lucid presentation of the ideas and results with up-to-date discussions on important applications such as optical tweezers and nanostructure fabrication. This book provides an excellent overview of the importance of polarizabilities in understanding the physical, electronic, and optical properties of particles in a regime that goes from free atoms to condensed-phase clusters.
Download or read book Handbook of Solid State Chemistry 6 Volume Set written by Richard Dronskowski and published by John Wiley & Sons. This book was released on 2017-10-23 with total page 3912 pages. Available in PDF, EPUB and Kindle. Book excerpt: This most comprehensive and unrivaled compendium in the field provides an up-to-date account of the chemistry of solids, nanoparticles and hybrid materials. Following a valuable introductory chapter reviewing important synthesis techniques, the handbook presents a series of contributions by about 150 international leading experts -- the "Who's Who" of solid state science. Clearly structured, in six volumes it collates the knowledge available on solid state chemistry, starting from the synthesis, and modern methods of structure determination. Understanding and measuring the physical properties of bulk solids and the theoretical basis of modern computational treatments of solids are given ample space, as are such modern trends as nanoparticles, surface properties and heterogeneous catalysis. Emphasis is placed throughout not only on the design and structure of solids but also on practical applications of these novel materials in real chemical situations.
Download or read book Calculations on nonlinear optical properties for large systems written by Feng Long Gu and published by Springer. This book was released on 2014-11-20 with total page 106 pages. Available in PDF, EPUB and Kindle. Book excerpt: For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
Download or read book Nonlinear Optics of Free Atoms and Molecules written by David C. Hanna and published by . This book was released on 1979 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Studies written by Ambrish Kumar Srivastava and published by CRC Press. This book was released on 2024-08-06 with total page 293 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book covers a diverse range of topics based on computational studies, including modeling and simulations based on quantum chemical studies and molecular dynamics (MD) simulations. It contains quantum chemical studies on several molecules, including biologically relevant molecules and liquid crystals and various aspects of superatomic clusters including superalkalis and superhalogens. It gives an overview of MD simulations and their applications on biomolecular systems such as HIV-1 protease and integrase. Features: Includes first principle methods, density functional theory, as well as molecular dynamics simulations. Explores quantum chemical studies on several molecules. Gives readers an overview of the power of computation. Discusses superatomic clusters, superalkalis, and superhalogens. Covers themes from molecules, clusters, materials, as well as biophysical systems. This book is aimed at researchers and graduate students in materials science and computational and theoretical chemistry.
Download or read book Small Particles and Inorganic Clusters written by Claude Chapon and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 555 pages. Available in PDF, EPUB and Kindle. Book excerpt: A lively demonstration of the great vitality and the multidisciplinary character of cluster research and of the usefulness of synthesizing its various aspects was given at this symposium. This volume covers all aspects of the physical and chemical properties of free and supported clusters or small particles: static, dynamical, electronic, magnetic and optical properties, adsorption and chemical phenomena. It thus gives a complete overview of the status of the field and its development.
Download or read book Electric Dipole Polarizabilities of Atoms Molecules and Clusters written by Keith D Bonin and published by World Scientific. This book was released on 1997-10-31 with total page 272 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is an in-depth review of experiment and theory on electric-dipole polarizabilities. It is broad in scope, encompassing atomic, molecular, and cluster polarizabilities. Both static and dynamic polarizabilities are treated (in the absence of absorption) and a full tensor picture of the polarizability is used. Traditional experimental techniques for measuring electric polarizabilities are described in detail. Recently developed experimental methods, including light forces, position-sensitive time-of-flight deflection, and atom interferometry, are also extensively discussed. Theoretical techniques for calculating polarizabilities are reviewed, including a discussion on the use of Gaussian basis sets. Many important comparisons between theory and experiment are summarized in an extensive set of tables of polarizabilities of important atoms, molecules, and clusters. Applications of polarizabilities to many areas of chemistry and physics are described, including optics, chemical structure, interactions of gases and particles with surfaces, and the interaction of molecules with light. The emphasis is on a lucid presentation of the ideas and results with up-to-date discussions on important applications such as optical tweezers and nanostructure fabrication. This book provides an excellent overview of the importance of polarizabilities in understanding the physical, electronic, and optical properties of particles in a regime that goes from free atoms to condensed-phase clusters. Contents:General Properties of the Linear PolarizabilityPolarizable SystemsTheoryExperimentManifestations of Polarization Properties Readership: Chemists, physicists and engineers. keywords:Polarizability;Cluster;Refractive Index;Absorption;Scattering;Optics;Dipole Moment;Light;Atoms;Molecules;Susceptibility;Dispersion;Dipole;Van der Waals;Dielectric Constant;Trapping
Download or read book Atoms Molecules And Clusters In Electric Fields Theoretical Approaches To The Calculation Of Electric Polarizability written by George Maroulis and published by World Scientific. This book was released on 2006-07-31 with total page 693 pages. Available in PDF, EPUB and Kindle. Book excerpt: With the central importance of electric polarizability and hyperpolarizability for a wide spectrum of activities, this book charts the trends in the accurate theoretical determination of these properties in specialized fields. The contributions include reviews and original papers that extend from methodology to applications in specific areas of primary importance such as cluster science and organic synthesis of molecules with specific properties./a
Download or read book Excitation Energies and Properties of Open Shell Singlet Molecules written by Masayoshi Nakano and published by Springer. This book was released on 2014-08-02 with total page 129 pages. Available in PDF, EPUB and Kindle. Book excerpt: This brief investigates the diradical character, which is one of the ground-state chemical indices for "bond weakness" or "electron correlation" and which allows researchers to explore the origins of the electron-correlation-driven physico-chemical phenomena concerned with electronic, optical and magnetic properties as well as to control them in the broad fields of physics and chemistry. It then provides the theoretical fundamentals of ground and excited electronic structures of symmetric and asymmetric open-shell molecular systems by using model molecular systems. Moreover, it presents the theoretical design guidelines for a new class of open-shell singlet molecular systems for nonlinear optics (NLO) and singlet fission.
Download or read book Atomic Clusters with Unusual Structure Bonding and Reactivity written by Pratim Kumar Chattaraj and published by Elsevier. This book was released on 2022-10-06 with total page 446 pages. Available in PDF, EPUB and Kindle. Book excerpt: Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications reviews the latest computational tools and approaches available for accurately assessing the properties of a cluster, while also highlighting how such clusters can be adapted and utilized for the development of novel materials and applications. Sections provide an introduction to the computational methods used to obtain global minima for clusters and effectively analyze bonds, outline experimental approaches to produce clusters, discuss specific applications, and explore cluster reactivity and usage across a number of fields.Drawing on the knowledge of its expert editors and contributors, this book provides a detailed guide to ascertaining the stability, bonding and properties of atomic clusters. Atomic clusters, which exhibit unusual properties, offer huge potential as building blocks for new materials and novel applications, but understanding their properties, stability and bonding is essential in order to accurately understand, characterize and manipulate them for further use. Searching for the most stable geometry of a given cluster is difficult and becomes even more so for clusters of medium and large sizes, where the number of possible isomers sharply increase, hence this book provides a unique and comprehensive approach to the topic and available techniques and applications. Introduces readers to the vast structural and bonding diversity that clusters show and reflects on their potential for novel application and material development Highlights the latest computational methods and theoretical tools available for identification of the most stable isomers and accurate analysis of bonding in the clusters Focuses on clusters which violate the rules established in traditional chemistry and exhibit unusual structure, bonding and reactivity
