Описание: "Electron Correlation in Molecules ab initio Beyond Gaussian Quantum Chemistry" presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biologyFeatures detailed reviews written by leading international researchersThe volume includes review on all the topics treated by world renown authors and cutting edge research contributions."
Описание: In this outstanding work, the author shows how non-orthogonal representations for electronic states can be used to construct corrective projections and, furthermore, how DFT+U may be implemented with a linearly increasing cost with respect to system size.
Автор: Jibamitra Ganguly; F. Abel; W.L. Brown; S. Chakrab Название: Diffusion, Atomic Ordering, and Mass Transport ISBN: 1461390214 ISBN-13(EAN): 9781461390213 Издательство: Springer Рейтинг: Цена: 16979.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: One of the fundamental objectives of physical geochemistry is to understand the evolution of geochemical systems from microscopic to regional and global scales.
Автор: Angelo Mascarenhas Название: Spontaneous Ordering in Semiconductor Alloys ISBN: 1461351677 ISBN-13(EAN): 9781461351672 Издательство: Springer Рейтинг: Цена: 14365.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The phenomenonofspontaneous ordering in semiconductoralloys, which can be categorized as a self-organized process, is observed to occur sponta- neously during epitaxial growth of certain ternary alloy semiconductors and results in a modification of their structural, electronic, and optical properties.
Автор: Max G. Lagally Название: Kinetics of Ordering and Growth at Surfaces ISBN: 1461279119 ISBN-13(EAN): 9781461279112 Издательство: Springer Рейтинг: Цена: 12157.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of a NATO ARW held in Acquafredda di Maratea, Italy, September 18--22, 1989
Описание: This book covers high-transition temperature (Tc) s-wave superconductivity and the neighboring Mott insulating phase in alkali-doped fullerides. The author presents (1) a unified theoretical description of the phase diagram and (2) a nonempirical calculation of Tc. For these purposes, the author employs an extension of the DFT+DMFT (density-functional theory + dynamical mean-field theory). He constructs a realistic electron–phonon-coupled Hamiltonian with a newly formulated downfolding method. The Hamiltonian is analyzed by means of the extended DMFT. A notable aspect of the approach is that it requires only the crystal structure as a priori knowledge. Remarkably, the nonempirical calculation achieves for the first time a quantitative reproduction of the experimental phase diagram including the superconductivity and the Mott phase. The calculated Tc agrees well with the experimental data, with the difference within 10 K. The book provides details of the computational scheme, which can also be applied to other superconductors and other phonon-related topics. The author clearly describes a superconducting mechanism where the Coulomb and electron–phonon interactions show an unusual cooperation in the superconductivity thanks to the Jahn–Teller nature of the phonons.
Автор: Cesare Pisani; Roberto Dovesi; Carla Roetti Название: Hartree-Fock Ab Initio Treatment of Crystalline Systems ISBN: 3540193170 ISBN-13(EAN): 9783540193173 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
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.
Автор: Matthias Hepting Название: Ordering Phenomena in Rare-Earth Nickelate Heterostructures ISBN: 3319605305 ISBN-13(EAN): 9783319605302 Издательство: Springer Рейтинг: Цена: 15372.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Introduction: Transition Metal Oxides and their Heterostructures.- The Rare-earth Nickelates.- Experimental Techniques.- Tunable Order Parameters in Nickelate Heterostructures.- Complex Magnetic Order in Nickelate Slabs.
Автор: Tormod Riste Название: Ordering in Strongly Fluctuating Condensed Matter Systems ISBN: 1468436287 ISBN-13(EAN): 9781468436280 Издательство: Springer Рейтинг: Цена: 6986.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Although the connection between fluctuations and dimensionality, and the suppression of long-range order by fluctuations, was pointed out as early as 1935 by Peier1s and by Landau, it is in the last five years or so that theoretical work has gained momentum.
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