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Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 9780521782852
Category : Science
Languages : en
Pages : 658
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Book Description
An important graduate textbook in condensed matter physics by highly regarded physicist.
Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 9780521782852
Category : Science
Languages : en
Pages : 658
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Book Description
An important graduate textbook in condensed matter physics by highly regarded physicist.
Author: Trygve Helgaker
Publisher: John Wiley & Sons
ISBN: 1119019559
Category : Science
Languages : en
Pages : 949
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Book Description
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.
Author: Walter A. Harrison
Publisher: Courier Corporation
ISBN: 0486141780
Category : Science
Languages : en
Pages : 610
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Book Description
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.
Author: David Vanderbilt
Publisher: Cambridge University Press
ISBN: 1108661300
Category : Science
Languages : en
Pages : 395
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Book Description
Over the past twenty-five years, mathematical concepts associated with geometric phases have come to occupy a central place in our modern understanding of the physics of electrons in solids. These 'Berry phases' describe the global phase acquired by a quantum state as the Hamiltonian is changed. Beginning at an elementary level, this book provides a pedagogical introduction to the important role of Berry phases and curvatures, and outlines their great influence upon many key properties of electrons in solids, including electric polarization, anomalous Hall conductivity, and the nature of the topological insulating state. It focuses on drawing connections between physical concepts and provides a solid framework for their integration, enabling researchers and students to explore and develop links to related fields. Computational examples and exercises throughout provide an added dimension to the book, giving readers the opportunity to explore the central concepts in a practical and engaging way.
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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Book Description
This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.
Author: Efthimios Kaxiras
Publisher: Cambridge University Press
ISBN: 0521810108
Category : Science
Languages : en
Pages : 700
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Book Description
Graduate-level textbook for physicists, chemists and materials scientists.
Author: Rajendra Prasad
Publisher: Taylor & Francis
ISBN: 1466504706
Category : Science
Languages : en
Pages : 467
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Book Description
Most textbooks in the field are either too advanced for students or don't adequately cover current research topics. Bridging this gap, Electronic Structure of Materials helps advanced undergraduate and graduate students understand electronic structure methods and enables them to use these techniques in their work.Developed from the author's lecture
Author: David J. Singh
Publisher: Springer Science & Business Media
ISBN: 9783540433828
Category : Science
Languages : en
Pages : 352
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Book Description
Recent developments in electronic structure theory have led to a new understanding of magnetic materials at the microscopic level. This enables a truly first-principles approach to investigations of technologically important magnetic materials. Among the advances treated here have been practical schemes for handling non-collinear magnetic systems, including relativity, and an understanding of the origins and role of orbital magnetism within band structure formalisms. This book provides deep theoretical insight into magnetism, mahneatic materials, and magnetic systems. It covers these recent developments with review articles by some of the main originators of these developments.
Author: James B. Foresman
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 368
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Book Description
Author: Lin Lin
Publisher: SIAM
ISBN: 1611975808
Category : Mathematics
Languages : en
Pages : 138
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Book Description
Based on first principle quantum mechanics, electronic structure theory is widely used in physics, chemistry, materials science, and related fields and has recently received increasing research attention in applied and computational mathematics. This book provides a self-contained, mathematically oriented introduction to the subject and its associated algorithms and analysis. It will help applied mathematics students and researchers with minimal background in physics understand the basics of electronic structure theory and prepare them to conduct research in this area. The book begins with an elementary introduction of quantum mechanics, including the uncertainty principle and the Hartree?Fock theory, which is considered the starting point of modern electronic structure theory. The authors then provide an in-depth discussion of two carefully selected topics that are directly related to several aspects of modern electronic structure calculations: density matrix based algorithms and linear response theory. Chapter 2 introduces the Kohn?Sham density functional theory with a focus on the density matrix based numerical algorithms, and Chapter 3 introduces linear response theory, which provides a unified viewpoint of several important phenomena in physics and numerics. An understanding of these topics will prepare readers for more advanced topics in this field. The book concludes with the random phase approximation to the correlation energy. The book is written for advanced undergraduate and beginning graduate students, specifically those with mathematical backgrounds but without a priori knowledge of quantum mechanics, and can be used for self-study by researchers, instructors, and other scientists. The book can also serve as a starting point to learn about many-body perturbation theory, a topic at the frontier of the study of interacting electrons.
