Download or read book First principles Calculations in Real space Formalism written by Kikuji Hirose and published by World Scientific. This book was released on 2005 with total page 266 pages. Available in PDF, EPUB and Kindle. Book excerpt: With cutting-edge materials and minute electronic devices being produced by the latest nanoscale fabrication technology, it is essential for scientists and engineers to rely on first-principles (ab initio) calculation methods to fully understand the electronic configurations and transport properties of nanostructures. It is now imperative to introduce practical and tractable calculation methods that accurately describe the physics in nanostructures suspended between electrodes.This timely volume addresses novel methods for calculating electronic transport properties using real-space formalisms free from geometrical restrictions. The book comprises two parts: The first details the basic formalism of the real-space finite-difference method and its applications. This provides the theoretical foundation for the second part of the book, which presents the methods for calculating the properties of electronic transport through nanostructures sandwiched by semi-infinite electrodes.

Download or read book Electronic Structure Calculations on Graphics Processing Units written by Ross C. Walker and published by John Wiley & Sons. This book was released on 2016-04-18 with total page 372 pages. Available in PDF, EPUB and Kindle. Book excerpt: Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics provides an overview of computing on graphics processing units (GPUs), a brief introduction to GPU programming, and the latest examples of code developments and applications for the most widely used electronic structure methods. The book covers all commonly used basis sets including localized Gaussian and Slater type basis functions, plane waves, wavelets and real-space grid-based approaches. The chapters expose details on the calculation of two-electron integrals, exchange-correlation quadrature, Fock matrix formation, solution of the self-consistent field equations, calculation of nuclear gradients to obtain forces, and methods to treat excited states within DFT. Other chapters focus on semiempirical and correlated wave function methods including density fitted second order Møller-Plesset perturbation theory and both iterative and perturbative single- and multireference coupled cluster methods. Electronic Structure Calculations on Graphics Processing Units: From Quantum Chemistry to Condensed Matter Physics presents an accessible overview of the field for graduate students and senior researchers of theoretical and computational chemistry, condensed matter physics and materials science, as well as software developers looking for an entry point into the realm of GPU and hybrid GPU/CPU programming for electronic structure calculations.

Download or read book First Principles Calculations of Semiconductor Liquids and Clusters written by Eunjung Ko and published by . This book was released on 2004 with total page 214 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book First Principles Calculations for Optical Absorption Spectra and Polarizabilities of Atomic Clusters written by Igor Vasiliev and published by . This book was released on 2000 with total page 260 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Electronic Structure of Nanomaterials written by Kristopher Edward Andersen and published by . This book was released on 2005 with total page 316 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book First Principles Simulations of Liquid Semiconductors written by Vitaliy Godlevsky and published by . This book was released on 1999 with total page 282 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book X Ray Absorption Fine Structure XAFS13 written by Britt Hedman and published by American Institute of Physics. This book was released on 2007-03-09 with total page 968 pages. Available in PDF, EPUB and Kindle. Book excerpt: The scope of this Conference was X-ray Absorption Fine Structure (XAFS) and related techniques and topics using synchrotron radiation. Many techniques and theories focusing on XAFS-related phenomena are presented. These techniques are used in many scientific areas to study electronic and real space structure of a multitude of materials.

Download or read book Journal of the Physical Society of Japan written by and published by . This book was released on 2016 with total page 716 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book First principles Calculations of Thermodynamic Properties and Phase Diagrams of Binary Substitutional Alloys written by Mark David Asta and published by . This book was released on 1993 with total page 526 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Materials Transactions written by and published by . This book was released on 2009 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book The Dhaka University Journal of Science written by and published by . This book was released on 2008 with total page 310 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book JJAP written by and published by . This book was released on 2010 with total page 1056 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Quantum Dots Nanoparticles and Nanowires Volume 789 written by P. Guyot-Sionnest and published by . This book was released on 2004-05-04 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nanostructures of semiconductors and metals show novel optical and transport properties, and offer the perspective of designing materials properties with unprecedented flexibility and control. This has motivated research in the synthesis and characterization of new materials. This 2004 book brings together scientists with various levels of expertise in the growth, characterization and applications of inorganic nanostructures, such as quantum dots, nanowires and nanorods, to discuss and share developments in the field. Reports focus on techniques to prepare and characterize novel materials, investigations of novel optical and electronic properties, and novel applications, such as those that are biologically inspired. Topics include: synthesis and characterization of semiconductor quantum dots, nanoparticles and nanowires using wet chemistry and molecular beam approaches; synthesis, characterization and novel properties of metallic nanostructures; optical properties of neutral and charged excitons and exciton complexes in self-assembled quantum dots; nanoscale devices and sensors based on nanostructures and their properties; and design and characterization of quantum dot-bioconjugates and their use in assay developments.

Download or read book Physics Briefs written by and published by . This book was released on 1993 with total page 1074 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Computational and Theoretical Techniques for Materials Science written by and published by National Academies. This book was released on 1995 with total page 64 pages. Available in PDF, EPUB and Kindle. Book excerpt:

Download or read book Desk Handbook written by Hiroaki Okamoto and published by . This book was released on 2010-01-01 with total page 855 pages. Available in PDF, EPUB and Kindle. Book excerpt: Desk Handbook: Phase Diagrams for Binary Alloys, Second Edition is the perfect book for those who want just binary phase diagrams and crystal data. Nearly 2,500 binary alloy phase diagrams (one "best" diagram selected per system) and associated crystal structure data. Includes an "Introduction to Alloy Phase Diagrams" and an explanation of "Impossible and Improbable Forms of Binary Phase Diagrams." *Updates the First Edition by 10 years * Presents diagrams in consistent size * Shows the principal axis in atomic %, with a secondary axis in weight % * Includes an introductory article on phase diagrams and their use * Gives references to the original literature source

Download or read book Defects in Materials Volume 209 written by Paul D. Bristowe and published by Mrs Proceedings. This book was released on 1991-04-26 with total page 960 pages. Available in PDF, EPUB and Kindle. Book excerpt: The MRS Symposium Proceeding series is an internationally recognised reference suitable for researchers and practitioners.