Electronic Structure

Electronic Structure
Title Electronic Structure PDF eBook
Author Richard M. Martin
Publisher Cambridge University Press
Pages 658
Release 2004-04-08
Genre Science
ISBN 9780521782852

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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
Title Electronic Structure and the Properties of Solids PDF eBook
Author Walter A. Harrison
Publisher Courier Corporation
Pages 610
Release 2012-03-08
Genre Science
ISBN 0486141780

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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
Title Molecular Electronic-Structure Theory PDF eBook
Author Trygve Helgaker
Publisher John Wiley & Sons
Pages 949
Release 2014-08-11
Genre Science
ISBN 1119019559

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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
Title Berry Phases in Electronic Structure Theory PDF eBook
Author David Vanderbilt
Publisher Cambridge University Press
Pages 395
Release 2018-11
Genre Science
ISBN 110715765X

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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
Title Electronic Structure of Disordered Alloys, Surfaces and Interfaces PDF eBook
Author Ilja Turek
Publisher Springer Science & Business Media
Pages 327
Release 2013-11-27
Genre Science
ISBN 1461562554

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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.

Exploring Chemistry with Electronic Structure Methods

Exploring Chemistry with Electronic Structure Methods
Title Exploring Chemistry with Electronic Structure Methods PDF eBook
Author James B. Foresman
Publisher
Pages 368
Release 1996
Genre Computers
ISBN

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Chemistry 2e

Chemistry 2e
Title Chemistry 2e PDF eBook
Author Paul Flowers
Publisher
Pages 0
Release 2019-02-14
Genre Chemistry
ISBN 9781947172623

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Chemistry 2e is designed to meet the scope and sequence requirements of the two-semester general chemistry course. The textbook provides an important opportunity for students to learn the core concepts of chemistry and understand how those concepts apply to their lives and the world around them. The book also includes a number of innovative features, including interactive exercises and real-world applications, designed to enhance student learning. The second edition has been revised to incorporate clearer, more current, and more dynamic explanations, while maintaining the same organization as the first edition. Substantial improvements have been made in the figures, illustrations, and example exercises that support the text narrative. Changes made in Chemistry 2e are described in the preface to help instructors transition to the second edition.