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Non-Linear Optical Response in Atoms, Molecules and Clusters

Author: Vladimir Goncharov

Publisher: Springer

Published: 2014-09-05

Total Pages: 74

ISBN-13: 3319083201

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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.

Book Synopsis Non-Linear Optical Response in Atoms, Molecules and Clusters by : Vladimir Goncharov

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.

Atoms, Molecules and Clusters in Electric Fields

Author: George Maroulis

Publisher: Imperial College Press

Published: 2006

Total Pages: 694

ISBN-13: 1860948863

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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.

Book Synopsis Atoms, Molecules and Clusters in Electric Fields by : George Maroulis

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.

Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials

Author: Rodolphe Antoine

Publisher: Springer

Published: 2017-10-04

Total Pages: 82

ISBN-13: 3319647431

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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.

Book Synopsis Liganded silver and gold quantum clusters. Towards a new class of nonlinear optical nanomaterials by : Rodolphe Antoine

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.

Nonlinear Optical Properties of Materials

Author: Rashid A. Ganeev

Publisher: Springer

Published: 2013-01-09

Total Pages: 258

ISBN-13: 9400760221

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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.

Book Synopsis Nonlinear Optical Properties of Materials by : Rashid A. Ganeev

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.

Atoms, Molecules and Clusters in Electric Fields

Author: George Maroulis

Publisher: Imperial College Press

Published: 2006

Total Pages: 693

ISBN-13: 1860946763

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Book Synopsis Atoms, Molecules and Clusters in Electric Fields by : George Maroulis

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 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.

Small Particles and Inorganic Clusters

Author: Claude Chapon

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 555

ISBN-13: 3642749135

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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.

Book Synopsis Small Particles and Inorganic Clusters by : Claude Chapon

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.

Calculations on nonlinear optical properties for large systems

Author: Feng Long Gu

Publisher: Springer

Published: 2014-11-20

Total Pages: 106

ISBN-13: 3319110683

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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.

Book Synopsis Calculations on nonlinear optical properties for large systems by : Feng Long Gu

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.

Electric-dipole Polarizabilities Of Atoms, Molecules, And Clusters

Author: Keith Bonin

Publisher: World Scientific

Published: 1997-10-31

Total Pages: 269

ISBN-13: 9814499587

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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.

Book Synopsis Electric-dipole Polarizabilities Of Atoms, Molecules, And Clusters by : Keith Bonin

Download or read book Electric-dipole Polarizabilities Of Atoms, Molecules, And Clusters written by Keith Bonin and published by World Scientific. This book was released on 1997-10-31 with total page 269 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.

Computational Aspects of Electric Polarizability Calculations

Author: George Maroulis

Publisher: IOS Press

Published: 2006

Total Pages: 542

ISBN-13: 9781586036430

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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.

Book Synopsis Computational Aspects of Electric Polarizability Calculations by : George Maroulis

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.

Excitation Energies and Properties of Open-Shell Singlet Molecules

Author: Masayoshi Nakano

Publisher: Springer

Published: 2014-08-02

Total Pages: 129

ISBN-13: 3319081209

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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.

Book Synopsis Excitation Energies and Properties of Open-Shell Singlet Molecules by : Masayoshi Nakano

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.