Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 9780521782852
Category : Science
Languages : en
Pages : 658
Book Description
An important graduate textbook in condensed matter physics by highly regarded physicist.
Electronic Structure
Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 9780521782852
Category : Science
Languages : en
Pages : 658
Book Description
An important graduate textbook in condensed matter physics by highly regarded physicist.
Publisher: Cambridge University Press
ISBN: 9780521782852
Category : Science
Languages : en
Pages : 658
Book Description
An important graduate textbook in condensed matter physics by highly regarded physicist.
Electronic Structure and the Properties of Solids
Author: Walter A. Harrison
Publisher: Courier Corporation
ISBN: 0486141780
Category : Science
Languages : en
Pages : 610
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.
Publisher: Courier Corporation
ISBN: 0486141780
Category : Science
Languages : en
Pages : 610
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.
Molecular Electronic-Structure Theory
Author: Trygve Helgaker
Publisher: John Wiley & Sons
ISBN: 1119019559
Category : Science
Languages : en
Pages : 949
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.
Publisher: John Wiley & Sons
ISBN: 1119019559
Category : Science
Languages : en
Pages : 949
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.
Berry Phases in Electronic Structure Theory
Author: David Vanderbilt
Publisher: Cambridge University Press
ISBN: 1108661300
Category : Science
Languages : en
Pages : 395
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.
Publisher: Cambridge University Press
ISBN: 1108661300
Category : Science
Languages : en
Pages : 395
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.
Modern Quantum Chemistry
Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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.
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 484
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.
Exploring Chemistry with Electronic Structure Methods
Author: James B. Foresman
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 368
Book Description
Publisher:
ISBN:
Category : Computers
Languages : en
Pages : 368
Book Description
Atomic and Electronic Structure of Solids
Author: Efthimios Kaxiras
Publisher: Cambridge University Press
ISBN: 0521810108
Category : Science
Languages : en
Pages : 700
Book Description
Graduate-level textbook for physicists, chemists and materials scientists.
Publisher: Cambridge University Press
ISBN: 0521810108
Category : Science
Languages : en
Pages : 700
Book Description
Graduate-level textbook for physicists, chemists and materials scientists.
Chemistry 2e
Author: Paul Flowers
Publisher:
ISBN: 9781947172623
Category : Chemistry
Languages : en
Pages : 0
Book Description
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.
Publisher:
ISBN: 9781947172623
Category : Chemistry
Languages : en
Pages : 0
Book Description
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.
Electronic Structure of Materials
Author: Rajendra Prasad
Publisher: Taylor & Francis
ISBN: 1466504706
Category : Science
Languages : en
Pages : 467
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
Publisher: Taylor & Francis
ISBN: 1466504706
Category : Science
Languages : en
Pages : 467
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
Electronic Structure of Disordered Alloys, Surfaces and Interfaces
Author: Ilja Turek
Publisher: Springer Science & Business Media
ISBN: 9780792397984
Category : Science
Languages : en
Pages : 340
Book Description
An introduction to the study of basic electronic and magnetic properties of complex materials such as alloys, their surfaces, interfaces, and extended defects. Part I explores theoretical background, with chapters on the linear muffin-tin orbital method, Green function method, coherent potential approximation, self- consistency within atomic sphere approximation, and relativistic theory. Part II is devoted to applications including magnetic properties, numerical implementation, and interatomic interactions in alloys. Of interest to researchers in solid state theory, surface science, and computational materials research. Annotation copyrighted by Book News, Inc., Portland, OR.
Publisher: Springer Science & Business Media
ISBN: 9780792397984
Category : Science
Languages : en
Pages : 340
Book Description
An introduction to the study of basic electronic and magnetic properties of complex materials such as alloys, their surfaces, interfaces, and extended defects. Part I explores theoretical background, with chapters on the linear muffin-tin orbital method, Green function method, coherent potential approximation, self- consistency within atomic sphere approximation, and relativistic theory. Part II is devoted to applications including magnetic properties, numerical implementation, and interatomic interactions in alloys. Of interest to researchers in solid state theory, surface science, and computational materials research. Annotation copyrighted by Book News, Inc., Portland, OR.