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Density Functional Theory, Engel


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Цена: 9345р.
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Наличие: Поставка под заказ.  Есть в наличии на складе поставщика.
Склад Англия: 331 шт.  Склад Америка: 132 шт.  
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Автор: Engel
Название:  Density Functional Theory
Издательство: Springer
Классификация:
Математика, Физика, Химия, Биология и др. точные науки
Физика конденсированного состояния (жидкости и тв.тела)
Физика плазмы
Физическая химия
Материаловедение

ISBN: 3642140890
ISBN-13(EAN): 9783642140891
ISBN: 3-642-14089-0
ISBN-13(EAN): 978-3-642-14089-1
Обложка/Формат: Hardback
Страницы: 530
Вес: 1.076 кг.
Дата издания: 01.10.2010
Серия: Theoretical and Mathematical Physics
Язык: ENG
Издание: 1st Ed.
Размер: 235 x 155 x 33
Читательская аудитория: Professional & vocational
Ссылка на Издательство: Link
Рейтинг:
Поставляется из: Германии
Описание: Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Greens function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
Дополнительное описание:




Advances in Density Functional Theory,33

Автор: Per-Olov Lowden
Название: Advances in Density Functional Theory,33
ISBN: 0120348322 ISBN-13(EAN): 9780120348329
Издательство: Elsevier Science
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Цена: 18700 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: This volume presents a summary of density functional theory and its applications in chemistry from atomic physics to molecular dynamics.

Principles and Applications of Density Functional Theory in Inorganic Chemistry II

Автор: Kaltsoyannis N., McGrady J.E.
Название: Principles and Applications of Density Functional Theory in Inorganic Chemistry II
ISBN: 3540218610 ISBN-13(EAN): 9783540218616
Издательство: Springer
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Цена: 35437 р.
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Описание: with contributions by numerous experts

A Chemist`s Guide to Density Functional Theory, 2nd Edition

Автор: Wolfram Koch
Название: A Chemist`s Guide to Density Functional Theory, 2nd Edition
ISBN: 3527303723 ISBN-13(EAN): 9783527303724
Издательство: Wiley
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Цена: 8360 р.
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Описание: Density functional theory (DFT) has become a major technique in quantum chemical calculations. In particular, its very good "price/performance" ratio has attracted a lot of attention to DFT. There is now an ever growing number of DFT applications in the computational chemistry literature.

Density-functional Theory of Atoms and Molecules

Автор: Parr, Robert G.;Yang Weitao
Название: Density-functional Theory of Atoms and Molecules
ISBN: 0195092767 ISBN-13(EAN): 9780195092769
Издательство: Oxford Academ
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Цена: 15612 р.
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Описание: Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry.

Time-Dependent Density-Functional Theory

Автор: Ullrich, Carsten A.
Название: Time-Dependent Density-Functional Theory
ISBN: 0199563020 ISBN-13(EAN): 9780199563029
Издательство: Oxford Academ
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Цена: 6141 р.
Наличие на складе: Поставка под заказ.

Описание: Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.

Marques (Eds), Fundamentals of Time-Dependent Density Functional Theory (Lecture Notes in Physics 837)

Название: Marques (Eds), Fundamentals of Time-Dependent Density Functional Theory (Lecture Notes in Physics 837)
ISBN: 3642235174 ISBN-13(EAN): 9783642235177
Издательство: Springer
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Цена: 8410 р.
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Описание: There have been many significant advances in time-dependent density functional theory over recent years, both in enlightening the fundamental theoretical basis of the theory, as well as in computational algorithms and applications. This book, as successor to the highly successful volume Time-Dependent Density Functional Theory (Lect. Notes Phys. 706, 2006) brings together for the first time all recent developments in a systematic and coherent way. First, a thorough pedagogical presentation of the fundamental theory is given, clarifying aspects of the original proofs and theorems, as well as presenting fresh developments that extend the theory into new realms—such as alternative proofs of the original Runge-Gross theorem, open quantum systems, and dispersion forces to name but a few. Next, all of the basic concepts are introduced sequentially and building in complexity, eventually reaching the level of open problems of interest. Contemporary applications of the theory are discussed, from real-time coupled-electron-ion dynamics, to excited-state dynamics and molecular transport. Last but not least, the authors introduce and review recent advances in computational implementation, including massively parallel architectures and graphical processing units. Special care has been taken in editing this volume as a multi-author textbook, following a coherent line of thought, and making all the relevant connections between chapters and concepts consistent throughout. As such it will prove to be the text of reference in this field, both for beginners as well as expert researchers and lecturers teaching advanced quantum mechanical methods to model complex physical systems, from molecules to nanostructures, from biocomplexes to surfaces, solids and liquids. From the reviews of LNP 706:“This is a well structured text, with a common set of notations and a single comprehensive and up-to-date list of references, rather than just a compilation of research articles. Because of its clear organization, the book can be used by novices (basic knowledge of ground-state DFT is assumed) and experienced users of TD-DFT, as well as developers in the field.” (Anna I. Krylov, Journal of the American Chemical Society, Vol. 129 (21), 2007)  “This book is a treasure of knowledge and I highly recommend it. Although it is a compilation of chapters written by many different leading researchers involved in development and application of TDDFT, the contributors have taken great care to make sure the book is pedagogically sound and the chapters complement each other [...]. It is highly accessible to any graduate student of chemistry or physics with a solid grounding in many-particle quantum mechanics, wishing to understand both the fundamental theory as well as the exponentially growing number of applications. [...]  In any case, no matter what your background is, it is a must-read and an excellent reference to have on your shelf.” Amazon.com, October 15, 2008, David Tempel (Cambridge, MA)

Introduction to Quantum Monte Carlo and Density Functional Theory

Автор: Schattke
Название: Introduction to Quantum Monte Carlo and Density Functional Theory
ISBN: 3527408517 ISBN-13(EAN): 9783527408511
Издательство: Wiley
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Цена: 5748 р.
Наличие на складе: Нет в наличии.

Описание: Quantum Monte Carlo is a large class of computer algorithms that simulate quantum systems to solve many body systems in order to investigate the electronic structure of many-body systems. This book presents a numeric approach to determine the electronic structure of atoms, molecules and solids.

Recent Progress in Orbital-Free Density Functional Theory

Автор: Wesolowski Tomasz A.
Название: Recent Progress in Orbital-Free Density Functional Theory
ISBN: 9814436720 ISBN-13(EAN): 9789814436724
Издательство: World Scientific Publishing
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Цена: 14936 р.
Наличие на складе: Есть у поставщика Поставка под заказ.

Описание: This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research.

Materials Modelling Using Density Functional Theory

Автор: Giustino Feliciano
Название: Materials Modelling Using Density Functional Theory
ISBN: 0199662444 ISBN-13(EAN): 9780199662449
Издательство: Oxford Academ
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Цена: 3017 р.
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Описание: The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.

Materials Modelling Using Density Functional Theory: Properties and Predictions

Автор: Giustino Feliciano
Название: Materials Modelling Using Density Functional Theory: Properties and Predictions
ISBN: 0199662436 ISBN-13(EAN): 9780199662432
Издательство: Oxford Academ
Рейтинг:
Цена: 8431 р.
Наличие на складе: Поставка под заказ.

Описание: The book explains the fundamental ideas of density functional theory, and how this theory can be used as a powerful method for explaining and even predicting the properties of materials with stunning accuracy.

Quantal Density Functional Theory

Автор: Sahni Viraht
Название: Quantal Density Functional Theory
ISBN: 3540408843 ISBN-13(EAN): 9783540408840
Издательство: Springer
Рейтинг:
Цена: 11215 р.
Наличие на складе: Нет в наличии.

Описание: Quantal density functional theory (Q-DFT) is a new local effective potential energy theory of the electronic structure of matter. It is a description in terms of classical fields that pervade all space, and their quantal sources. The fields, which are explicitly defined, are separately representative of the many-body electron correlations present in such a description, namely, those due to the Pauli exclusion principle, Coulomb repulsion, correlation-kinetic, and correlation-current-density effects. The book further describes SchrГ¶dinger theory from the new perspective of fields and quantal sources. It also explains the physics underlying the functionals and functional derivatives of traditional DFT.

Principles and Applications of Density Functional Theory in Inorganic Chemistry I

Автор: Kaltsoyannis N., McGrady J.E.
Название: Principles and Applications of Density Functional Theory in Inorganic Chemistry I
ISBN: 3540218602 ISBN-13(EAN): 9783540218609
Издательство: Springer
Рейтинг:
Цена: 29827 р.
Наличие на складе: Есть у поставщика Поставка под заказ.


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