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Hartree-Fock Ab Initio Treatment of Crystalline Systems, Cesare Pisani; Roberto Dovesi; Carla Roetti


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Автор: Cesare Pisani; Roberto Dovesi; Carla Roetti
Название:  Hartree-Fock Ab Initio Treatment of Crystalline Systems
ISBN: 9783540193173
Издательство: Springer
Классификация:





ISBN-10: 3540193170
Обложка/Формат: Paperback
Страницы: 193
Вес: 0.33 кг.
Дата издания: 08.06.1988
Серия: Lecture Notes in Chemistry
Язык: English
Размер: 244 x 170 x 11
Основная тема: Chemistry
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: This book presents a computational scheme for calculating the electronic properties of crystalline systems at an ab-ini tio Hartree-Fock level of approximation. The third chapter describes a number of applications, in order to clarify the possible use of this kind of programs in solid state physics and chemistry.


Dynamics of Glassy, Crystalline and Liquid Ionic Conductors

Автор: Habasaki
Название: Dynamics of Glassy, Crystalline and Liquid Ionic Conductors
ISBN: 3319423894 ISBN-13(EAN): 9783319423890
Издательство: Springer
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Цена: 20962.00 р.
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Описание:

This book discusses the physics of the dynamics of ions in various ionically conducting materials, and applications including electrical energy generation and storage. The experimental techniques for measurements and characterization, molecular dynamics simulations, the theories of ion dynamics, and applications are all addressed by the authors, who are experts in their fields. The experimental techniques of measurement and characterization of dynamics of ions in glassy, crystalline, and liquid ionic conductors are introduced with the dual purpose of introducing the reader to the experimental activities of the field, and preparing the reader to understand the physical quantities derived from experiments. These experimental techniques include calorimetry, conductivity relaxation, nuclear magnetic resonance, light scattering, neutron scattering, and others. Methods of molecular dynamics simulations are introduced to teach the reader to utilize the technique for practical applications to specific problems. The results elucidate the dynamics of ions on some issues that are not accessible by experiments. The properties of ion dynamics in glassy, crystalline and liquid ionic conductors brought forth by experiments and simulations are shown to be universal, i.e. independent of physical and chemical structure of the ionic conductor as long as ion-ion interaction is the dominant factor. Moreover these universal properties of ion dynamics are shown to be isomorphic to other complex interacting systems including the large class of glass-forming materials with or without ionic conductivity.
By covering the basic concepts, theories/models, experimental techniques and data, molecular dynamics simulations, and relating them together, Dynamics of Glassy, Crystalline and Liquid Ionic Conductors will be of great interest to many in basic and applied research areas from the broad and diverse communities of condensed matter physicists, chemists, materials scientists and engineers. The book also provides the fundamentals for an introduction to the field and it is written in such a way that can be used for teaching courses either at the undergraduate or graduate level in academic institutions.
Imperfections in Crystalline Solids

Автор: Cai
Название: Imperfections in Crystalline Solids
ISBN: 1107123135 ISBN-13(EAN): 9781107123137
Издательство: Cambridge Academ
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Цена: 8870.00 р.
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Описание: This unique and accessible textbook, based on fifty years of teaching, provides students with a working knowledge of the properties of defects in crystalline solids. With worked examples and end-of-chapter exercises, and solutions and MATLAB (R) programs available online, it is essential for advanced undergraduate and graduate courses on crystal defects.


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