Electronic Structure - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Electronic Structure write by Richard M. Martin. This book was released on 2004-04-08. Electronic Structure available in PDF, EPUB and Kindle. An important graduate textbook in condensed matter physics by highly regarded physicist.
Electronic Structure and the Properties of Solids
Electronic Structure and the Properties of Solids - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Electronic Structure and the Properties of Solids write by Walter A. Harrison. This book was released on 2012-03-08. Electronic Structure and the Properties of Solids available in PDF, EPUB and Kindle. This text offers basic understanding of the electronic structure of covalent and ionic solids, simple metals, transition metals and their compounds; also explains how to calculate dielectric, conducting, bonding properties.
Molecular Electronic-Structure Theory
Molecular Electronic-Structure Theory - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Molecular Electronic-Structure Theory write by Trygve Helgaker. This book was released on 2014-08-11. Molecular Electronic-Structure Theory available in PDF, EPUB and Kindle. Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
Berry Phases in Electronic Structure Theory
Berry Phases in Electronic Structure Theory - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Berry Phases in Electronic Structure Theory write by David Vanderbilt. This book was released on 2018-11. Berry Phases in Electronic Structure Theory available in PDF, EPUB and Kindle. An introduction to the role of Berry phases in our modern understanding of the physics of electrons in solids.
Electronic Structure of Disordered Alloys, Surfaces and Interfaces
Electronic Structure of Disordered Alloys, Surfaces and Interfaces - read free eBook in online reader or directly download on the web page. Select files or add your book in reader. Download and read online ebook Electronic Structure of Disordered Alloys, Surfaces and Interfaces write by Ilja Turek. This book was released on 2013-11-27. Electronic Structure of Disordered Alloys, Surfaces and Interfaces available in PDF, EPUB and Kindle. At present, there is an increasing interest in the prediction of properties of classical and new materials such as substitutional alloys, their surfaces, and metallic or semiconductor multilayers. A detailed understanding based on a thus of the utmost importance for fu microscopic, parameter-free approach is ture developments in solid state physics and materials science. The interrela tion between electronic and structural properties at surfaces plays a key role for a microscopic understanding of phenomena as diverse as catalysis, corrosion, chemisorption and crystal growth. Remarkable progress has been made in the past 10-15 years in the understand ing of behavior of ideal crystals and their surfaces by relating their properties to the underlying electronic structure as determined from the first principles. Similar studies of complex systems like imperfect surfaces, interfaces, and mul tilayered structures seem to be accessible by now. Conventional band-structure methods, however, are of limited use because they require an excessive number of atoms per elementary cell, and are not able to account fully for e.g. substitu tional disorder and the true semiinfinite geometry of surfaces. Such problems can be solved more appropriately by Green function techniques and multiple scattering formalism.
