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A Primer in Density Functional Theory, Fiolhais


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Цена: 6552р.
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Автор: Fiolhais
Название:  A Primer in Density Functional Theory
Издательство: Springer
Классификация:
Физика
Физическая химия

ISBN: 3540030832
ISBN-13(EAN): 9783540030836
ISBN: 3-540-03083-2
ISBN-13(EAN): 978-3-540-03083-6
Обложка/Формат: Hardback
Страницы: 269 pages, Illustrat
Вес: 0.57 кг.
Дата издания: 11/06/2003
Серия: Mathematical and Computational Physics / Lecture Notes in Physics
Язык: ENG
Иллюстрации: Biography
Размер: 23.39 x 15.60 x 1.91 cm
Читательская аудитория: General (US: Trade)
Ссылка на Издательство: Link
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Поставляется из: Германии
Описание: Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate stud nts or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.



Quantal Density Functional Theory

Автор: Sahni Viraht
Название: Quantal Density Functional Theory
ISBN: 3540408843 ISBN-13(EAN): 9783540408840
Издательство: Springer
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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.

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

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.

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.
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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.

Density Functional Theory

Автор: Engel
Название: Density Functional Theory
ISBN: 3642140890 ISBN-13(EAN): 9783642140891
Издательство: Springer
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Цена: 9345 р.
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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 Green's 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.

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

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
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Цена: 29827 р.
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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.
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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.
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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.

Nuclear Fission and Cluster Radioactivity / An Energy-Density Functional Approach

Автор: Hooshyar M.A., Reichstein Irwin, Malik F. Bary
Название: Nuclear Fission and Cluster Radioactivity / An Energy-Density Functional Approach
ISBN: 3540233024 ISBN-13(EAN): 9783540233022
Издательство: Springer
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Цена: 6552 р.
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Описание: It is the first application to nuclear physics from energy-density functional method, for which Professor Walter Kohn received the Nobel Prize in Chemistry. The book presents a comprehensive extension of the Bohr-Wheeler theory with the present knowledge of nuclear density distribution function.

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.

Recent Developments and Applications of Modern Density Functional

Автор: Jorge M. Seminario
Название: Recent Developments and Applications of Modern Density Functional
ISBN: 0444824049 ISBN-13(EAN): 9780444824042
Издательство: Elsevier Science
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Цена: 31790 р.
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Описание: Any area where a molecular system is the center of attention can be studied using Density Functional Theory (DFT). This book describes the status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level.


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