Computing the Optical Properties of Large Systems PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Computing the Optical Properties of Large Systems PDF full book. Access full book title Computing the Optical Properties of Large Systems by Tim Joachim Zuehlsdorff. Download full books in PDF and EPUB format.
Author: Tim Joachim Zuehlsdorff
Publisher: Springer
ISBN: 3319197703
Category : Science
Languages : en
Pages : 196
Get Book
Book Description
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.
Author: Tim Joachim Zuehlsdorff
Publisher: Springer
ISBN: 3319197703
Category : Science
Languages : en
Pages : 196
Get Book
Book Description
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.
Author: Feng Long Gu
Publisher: Springer
ISBN: 3319110683
Category : Science
Languages : en
Pages : 106
Get Book
Book Description
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.
Author: John S. Avery
Publisher: Springer Science & Business Media
ISBN: 9400937814
Category : Science
Languages : en
Pages : 592
Get Book
Book Description
"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.
Author: Hideaki Takayanagi
Publisher: World Scientific
ISBN: 9812814612
Category : Science
Languages : en
Pages : 433
Get Book
Book Description
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.
Author: Jia Fu
Publisher: BoD – Books on Demand
ISBN: 1838802010
Category : Computers
Languages : en
Pages : 180
Get Book
Book Description
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.
Author: Dick Bedeaux
Publisher: Imperial College Press
ISBN: 1860945430
Category : Science
Languages : en
Pages : 465
Get Book
Book Description
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.
Author:
Publisher: Elsevier
ISBN: 0128098945
Category : Science
Languages : en
Pages : 5276
Get Book
Book Description
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
Author: Sergio G. Rodrigo
Publisher: Springer Science & Business Media
ISBN: 3642230857
Category : Science
Languages : en
Pages : 177
Get Book
Book Description
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.
Author:
Publisher:
ISBN:
Category : Large space structures (Astronautics)
Languages : en
Pages : 1040
Get Book
Book Description
Author: Mikhail F. Limonov
Publisher: CRC Press
ISBN: 1439871914
Category : Science
Languages : en
Pages : 535
Get Book
Book Description
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.
