Density matrix renormalization group (dmrg)-based approaches in computational chemistry, Ma, Haibo (professor Of Theoretical Chemistry, School Of Chemistry And Chemical Engineering, Nanjing University, China) Schollwoeck, Ulrich (departmen
Описание: This textbook provides a comprehensive, yet accessible, introduction to statistical mechanics. Crafted and class-tested over many years of teaching, it carefully guides advanced undergraduate and graduate students who are encountering statistical mechanics for the first time through this - sometimes - intimidating subject.
Автор: Wesolowski Tomasz A. Название: Recent Progress in Orbital-Free Density Functional Theory ISBN: 9814436720 ISBN-13(EAN): 9789814436724 Издательство: World Scientific Publishing Рейтинг: Цена: 22968.00 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.
Автор: Jan K. Labanowski; Jan W. Andzelm Название: Density Functional Methods in Chemistry ISBN: 1461278090 ISBN-13(EAN): 9781461278092 Издательство: Springer Рейтинг: Цена: 14365.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Even the simplest approximation of DF, the local spin density method (LSD), yields molecular structures typical of ab initio correlated methods. However, DF`s greatest advantage is that it can be applied to much larger systems than those approachable by tradition- al ab initio methods, especially when compared with correlated ab initio methods.
Описание: This Faraday Discussions volume is for chemists, physicists, materials scientists and applied mathematicians who develop new density-functional methods and rely on this approach as a key tool in their research.
Автор: Takao Tsuneda Название: Density Functional Theory in Quantum Chemistry ISBN: 443156344X ISBN-13(EAN): 9784431563440 Издательство: Springer Рейтинг: Цена: 13059.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.
Автор: Takao Tsuneda Название: Density Functional Theory in Quantum Chemistry ISBN: 4431548246 ISBN-13(EAN): 9784431548249 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book examines density functional theory based on the foundation of quantum chemistry. Unconventional in approach, it reviews basic concepts, then describes the physical meanings of state-of-the-art exchange-correlation functionals and their corrections.
Описание: This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners` House, Abingdon-on-Thames, Oxon.
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