Download or read book Computing the Optical Properties of Large Systems written by Tim Joachim Zuehlsdorff and published by Springer. This book was released on 2015-06-05 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: This work addresses the computation of excited-state properties of systems containing thousands of atoms. To achieve this, the author combines the linear response formulation of time-dependent density functional theory (TDDFT) with linear-scaling techniques known from ground-state density-functional theory. This extends the range of TDDFT, which on its own cannot tackle many of the large and interesting systems in materials science and computational biology. The strengths of the approach developed in this work are demonstrated on a number of problems involving large-scale systems, including exciton coupling in the Fenna-Matthews-Olson complex and the investigation of low-lying excitations in doped p-terphenyl organic crystals.
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 Understanding Molecular Properties written by John S. Avery and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 592 pages. Available in PDF, EPUB and Kindle. Book excerpt: "The Theory of Atomic Spectra", surrrrnanzlllg all that was then known about the quantum theory of free atoms; and in 1961, J.S. Griffith published "The Theory of Transition Metal Ions", in which he combined the ideas in Condon and Shortley's book with those of Bethe, Schlapp, Penney and Van Vleck. All this work, however, was done by physicists, and the results were reported in a way which was more accessable to physicists than to chemists. In the meantime, Carl J. Ballhausen had been studying quantum theory with W. Moffitt at Harvard; and in 1962 (almost simultaneously with Griffith) he published his extremely important book, "Introduction to Ligand Field Theory". This influential book was written from the standpoint of a chemist, and it became the standard work from which chemists learned the quantum theory of transition metal complexes. While it treated in detail the group theoretical aspects of crystal field theory, Carl J. Ballhausen's book also emphasized the limitations of the theory. As he pointed out, it is often not sufficient to treat the central metal ion as free (apart from the influence of the charges on the surrounding ligands): - In many cases hybridization of metal and ligand orbitals is significant. Thus, in general. a molecular orbital treatment is needed to describe transition metal complexes. However, much of the group theory developed In connection with crystal field theory can also be used in the molecular orbital treatment.
Download or read book Controllable Quantum States written by Hideaki Takayanagi and published by World Scientific. This book was released on 2008 with total page 433 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a collection of papers from the fourth meeting of the International Symposium on Mesoscopic Superconductivity and Spintronics held at NTT Atsugi, Japan. Research in these fields has advanced a great deal since the previous meeting, largely because these fields have drawn much attention from the viewpoint of new quantum phenomena and quantum information technology. Mesoscopic superconductivity has been developed in new fields, such as a ferromagnet/superconductor junction, the proximity effect in unconventional superconductors, macroscopic quantum tunneling in high-Tc superconductors, quantum modulation of superconducting junctions and superconducting quantum bits. The book also covers transport and spins in nano-scale semiconductor structures such as quantum dots and wires, quantum interference and coherence and order in exotic materials, and some papers on quantum algorithm. This book adequately provides an overview of recent progress in mesoscopic superconductivity.
Download or read book Atomistic Simulation of Anistropic Crystal Structures at Nanoscale written by Jia Fu and published by BoD – Books on Demand. This book was released on 2019-05-10 with total page 180 pages. Available in PDF, EPUB and Kindle. Book excerpt: Multiscale simulations of atomistic/continuum coupling in computational materials science, where the scale expands from macro-/micro- to nanoscale, has become a hot research topic. These small units, usually nanostructures, are commonly anisotropic. The development of molecular modeling tools to describe and predict the mechanical properties of structures reveals an undeniable practical importance. Typical anisotropic structures (e.g. cubic, hexagonal, monoclinic) using DFT, MD, and atomic finite element methods are especially interesting, according to the modeling requirement of upscaling structures. It therefore connects nanoscale modeling and continuous patterns of deformation behavior by identifying relevant parameters from smaller to larger scales. These methodologies have the prospect of significant applications. I would like to recommend this book to both beginners and experienced researchers.
Download or read book Optical Properties of Surfaces written by Dick Bedeaux and published by Imperial College Press. This book was released on 2004 with total page 465 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation - An extremely rigorous theoretical description- For thin films computer programs are available for obtaining the optical properties exactly- Presents optical properties of rough surfaces, including capillary waves and oxide layers- Provides a new discussion on reflection from a gyrotropic surface- Describes reflection from a self-affine rough surface.
Download or read book Encyclopedia of Interfacial Chemistry written by and published by Elsevier. This book was released on 2018-03-29 with total page 5276 pages. Available in PDF, EPUB and Kindle. Book excerpt: Encyclopedia of Interfacial Chemistry: Surface Science and Electrochemistry, Seven Volume Set summarizes current, fundamental knowledge of interfacial chemistry, bringing readers the latest developments in the field. As the chemical and physical properties and processes at solid and liquid interfaces are the scientific basis of so many technologies which enhance our lives and create new opportunities, its important to highlight how these technologies enable the design and optimization of functional materials for heterogeneous and electro-catalysts in food production, pollution control, energy conversion and storage, medical applications requiring biocompatibility, drug delivery, and more. This book provides an interdisciplinary view that lies at the intersection of these fields. Presents fundamental knowledge of interfacial chemistry, surface science and electrochemistry and provides cutting-edge research from academics and practitioners across various fields and global regions
Download or read book Optical Properties of Nanostructured Metallic Systems written by Sergio G. Rodrigo and published by Springer Science & Business Media. This book was released on 2011-10-08 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: The common belief is that light is completely reflected by metals. In reality they also exhibit an amazing property that is not so widely known: under some conditions light flows along a metallic surface as if it were glued to it. Physical phenomena related to these light waves, which are called Surface Plasmon Polaritons (SPP), have given rise to the research field of plasmonics. This thesis explores four interesting topics within plasmonics: extraordinary optical transmission, negative refractive index metamaterials, plasmonic devices for controlling SPPs, and field enhancement phenomena near metal nanoparticles.
Download or read book Large Space Structures Systems in the Space Station Era written by and published by . This book was released on 1991 with total page 1040 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Optical Properties of Photonic Structures written by Mikhail F. Limonov and published by CRC Press. This book was released on 2012-06-25 with total page 535 pages. Available in PDF, EPUB and Kindle. Book excerpt: The collection of articles in this book offers a penetrating shaft into the still burgeoning subject of light propagation and localization in photonic crystals and disordered media. While the subject has its origins in physics, it has broad significance and applicability in disciplines such as engineering, chemistry, mathematics, and medicine. Unlike other branches of physics, where the phenomena under consideration require extreme conditions of temperature, pressure, energy, or isolation from competing effects, the phenomena related to light localization survive under the most ordinary of conditions. This provides the science described in this book with broad applicability and vitality. However, the greatest challenge to the further development of this field is in the reliable and inexpensive synthesis of materials of the required composition, architecture and length scale, where the proper balance between order and disorder is realized. Similar challenges have been faced and overcome in fields such as semiconductor science and technology. The challenge of photonic crystal synthesis has inspired a variety of novel fabrication protocols such as self-assembly and optical interference lithography that offer much less expensive approaches than conventional semiconductor microlithography. Once these challenges are fully met, it is likely that light propagation and localization in photonic microstructures will be at the heart of a 21st-century revolution in science and technology. —From the Introduction, Sajeev John, University of Toronto, Ontario, Canada One of the first books specifically focused on disorder in photonic structures, Optical Properties of Photonic Structures: Interplay of Order and Disorder explores how both order and disorder provide the key to the different regimes of light transport and to the systematic localization and trapping of light. Collecting contributions from leaders of research activity in the field, the book covers many important directions, methods, and approaches. It describes various one-, two-, and three-dimensional structures, including opals, aperiodic Fibonacci-type photonic structures, photonic amorphous structures, photonic glasses, Lévy glasses, and hypersonic, magnetophotonic, and plasmonic–photonic crystals with nanocavities, quantum dots, and lasing action. The book also addresses practical applications in areas such as optical communications, optical computing, laser surgery, and energy.
Download or read book Computational Methods for Large Systems written by Jeffrey R. Reimers and published by John Wiley & Sons. This book was released on 2011-08-24 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It’s a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems.
Download or read book Simulation of Transport in Nanodevices written by François Triozon and published by John Wiley & Sons. This book was released on 2016-11-22 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Linear current-voltage pattern, has been and continues to be the basis for characterizing, evaluating performance, and designing integrated circuits, but is shown not to hold its supremacy as channel lengths are being scaled down. In a nanoscale circuit with reduced dimensionality in one or more of the three Cartesian directions, quantum effects transform the carrier statistics. In the high electric field, the collision free ballistic transform is predicted, while in low electric field the transport remains predominantly scattering-limited. In a micro/nano-circuit, even a low logic voltage of 1 V is above the critical voltage triggering nonohmic behavior that results in ballistic current saturation. A quantum emission may lower this ballistic velocity.
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 Spin Chemical Physics of Graphene written by Elena Sheka and published by CRC Press. This book was released on 2017-11-23 with total page 468 pages. Available in PDF, EPUB and Kindle. Book excerpt: Graphene’s nickname ‘miracle material’ normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical - and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science – sci graphene – on the one hand, and as a working material- high tech graphene - for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity.
Download or read book Large Space Structures Systems in the Space Station Era written by and published by . This book was released on 1993 with total page 368 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Many Body Green s Functions and the Bethe Salpeter Equation in Chemistry From Single Molecules to Complex Systems written by Bjoern Baumeier and published by Frontiers Media SA. This book was released on 2022-10-13 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computer Aided Innovation of New Materials written by J. Kihara and published by Elsevier. This book was released on 2012-12-02 with total page 1009 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume brings together the experience of specialists in the entire field of applications of Materials Science. The volume contains 196 of the excellent papers presented at the conference. This multidisciplinary meeting was held to bring together workers in a wide range of materials science and engineering activities who employ common analytical and experimental methods in their day to day work. The results of the meeting are of worldwide interest, and will help to stimulate future research and analysis in this area.
