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Time-Dependent Density-Functional Theory, Ullrich, Carsten A.


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Автор: Ullrich, Carsten A.
Название:  Time-Dependent Density-Functional Theory
Издательство: Oxford Academ
Классификация:
Физика конденсированного состояния (жидкости и тв.тела)
Атомная и молекулярная физика
Прикладная физика и специальные разделы
Физическая химия
Биохимия

ISBN: 0199563020
ISBN-13(EAN): 9780199563029
ISBN: 0-19-956302-0
ISBN-13(EAN): 978-0-19-956302-9
Обложка/Формат: Hardback
Страницы: 536
Вес: 1.19 кг.
Дата издания: 15.12.2011
Серия: Oxford graduate texts
Иллюстрации: 160 b/w illustrations
Размер: 178 x 252 x 33
Читательская аудитория: Graduate students and postgraduate scientists in theoretical and computational chemistry, biochemistry, physical chemistry, physics, materials science, and nanoscience.
Подзаголовок: Concepts and applications
Ссылка на Издательство: Link
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Поставляется из: Англии
Описание: Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. Its 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.
Дополнительное описание: Physical chemistry; Biochemistry; Atomic & molecular physics; Condensed matter physics (liquid state & solid state physics); Chemical physics; Biophysics; Materials science




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.

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.

From Electronic Structure to Time-Dependent Processes,36

Автор: Per-Olov Lowden
Название: From Electronic Structure to Time-Dependent Processes,36
ISBN: 0120348365 ISBN-13(EAN): 9780120348367
Издательство: Elsevier Science
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Цена: 18700 р.
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Описание: This volume is part of a series which publishes articles and invited reviews by leading international researchers in quantum chemistry. It includes coverage of electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns.

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.

Advances in Chemical Physics, Volume 134, Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules

Автор: Mazziotti
Название: Advances in Chemical Physics, Volume 134, Reduced-Density-Matrix Mechanics: With Application to Many-Electron Atoms and Molecules
ISBN: 0471790567 ISBN-13(EAN): 9780471790563
Издательство: Wiley
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Цена: 22154 р.
Наличие на складе: Нет в наличии.

Описание: This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. The book will provide an up-to-date overview of the frontiers in using two-electron reduced-density-matrix theory to compute the energies and properties of atoms and molecules without computing the many-electron wave function. The purpose of this book is to give the reader an up-to-date account of this cutting-edge research in a consistent and understandable framework.  There is a need for a book that examines the key advancements from all of the experts in the field in a coherent framework. The book will be of special interest to experts in other areas of electronic structure and/or quantum many-body theory. It will serve equally well as a self-contained guide to learning about reduced density matrices either ithrough self-study or in a classroom as well as an invaluable resource for understanding the critical advancements in the field. The book has the potential to become the classic source for work in the field of two-electron reduced density matrices, so as this becomes a more mainstream topic, interest will grow.

The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State

Автор: Gidopoulos N.I., Wilson S.
Название: The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State
ISBN: 1402017936 ISBN-13(EAN): 9781402017933
Издательство: Springer
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Цена: 24466 р.
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Описание: This volume records the proceedings of a Forum attended by many leading researchers working in the field of Electron Density, Density Matrix and Density Functional Theory held at the Coseners' House, Abingdon-on-Thames, Oxfordshire, UK in early summer 2002. It has long been recognized that "All the necessary information required for the energy and for calculating the properties of molecules is embodied in the first- and second-order density matrices". The wave function contains much more information than is required to yield the energy or other property. But the density matrices must correspond to some physically acceptable wave function. Coleman, one of the distinguished participants in the Forum, has dubbed this "Coulson's challenge". His paper describing recent work on the N-representability problem is included in this volume. McWeeny discusses some unsolved problems in density matrix theory and density functional theory; and Bader discusses the use of the electron density in explaining the structure and properties of atoms and molecules. Density Functional Theory is widely used in studies of molecular and solid state systems. Yet the theoretical apparatus for this approach remains under active development. Theophilou describes a new formulation of density functional theory. Gross and his coworkers present a time-dependent theory for molecules in strong laser pulses. Nagy considers pair density functional theory, while Ludena and his colleagues examine functional N-representability in density matrix and density functional theory. The meeting concluded with a Forum, ably chaired by B.T. Sutcliffe, in which the latest research and results were discussed. A record of this Forum is included in this volume. This book will be of value to researchers and research students in theoretical chemistry and theoretical physics whose work involves the theoretical study of atoms, molecules and the solid state. It will be of interest to quantum chemists and solid state physicists, to materials scientists and applied mathematicians.

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.

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.

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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A Primer in Density Functional Theory

Автор: Fiolhais
Название: A Primer in Density Functional Theory
ISBN: 3540030832 ISBN-13(EAN): 9783540030836
Издательство: Springer
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Цена: 6552 р.
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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.

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.


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