Many-Electron Densities and Reduced Density Matrices, Jerzy Cioslowski
Автор: Eugene S. Kryachko; Eduardo V. Lude?a Название: Energy Density Functional Theory of Many-Electron Systems ISBN: 9401073813 ISBN-13(EAN): 9789401073813 Издательство: Springer Рейтинг: Цена: 58774.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Eugene S. Kryachko; Eduardo V. Lude?a Название: Energy Density Functional Theory of Many-Electron Systems ISBN: 0792306414 ISBN-13(EAN): 9780792306412 Издательство: Springer Рейтинг: Цена: 58774.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: I would like to present to a wide circle of the readers working in quantum chem- istry and solid-state physics, as, -ell as in other fields of many-body physics and its interfaces, this book deyoted to density functional theory written by my colleagues Eugene S. Kryachko and Eduardo Y. Ludena. Their ways to this theory are rather different although basically both of them are quantum chemical. Eugene S. Kryachko came to energy density functional theory from the theory of reduced density matrices, and Eduardo \'. Ludena dewloped earlier the concept of loges in quantum chemistry. Neyertheless, their earlier interests giw the possibility to consolidate and formulate energy density functional theory in a unified and consistent way, in my opinion. Raymond Daudel Paris ACKNOWLEDGMENTS The authors are indebted to Carl Almbladh, Victor Va. Antonchenko, John Avery, Richard F. W. Bader, Ulf \'on Barth, Jean-Louis Calais, A. John Coleman, Jens P. Dahl, Robert Donnelly, Harold Englisch, Robert 1\1. Erdahl, Oswaldo Goscinski, John E. Harriman, Gintas Kamuntavichius, Illja G. Kaplan, Jaime Keller, \'alentin Khart- siev, Toshikatsu Koga, Per-Olov Lo\ydin, T. Tung Nguyen-Dang, Ivan Zh. Petkov, Jerome K. Percus, l\lary Beth Ruskai, John R. Sabin, Zdenek Slanina, \'ladimir Shi- rokov, l\lario V. Stoitsov, Yoram Tal, and \Vaitao Yang, who in one way or another, either through their kind support, help, discussions or valuable comments created the human and intellectual background which made this book possible.
Автор: Jerzy Cioslowski Название: Many-Electron Densities and Reduced Density Matrices ISBN: 1461368901 ISBN-13(EAN): 9781461368908 Издательство: Springer Рейтинг: Цена: 15672.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: A.J. Coleman; V.I. Yukalov Название: Reduced Density Matrices ISBN: 354067148X ISBN-13(EAN): 9783540671480 Издательство: Springer Рейтинг: Цена: 19591.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The authors demonstrate that the essential information about order in, and energy levels of physical systems is encapsulated in the second order reduced density matrix.
Автор: R.M. Erdahl; Vedene H. Smith Jr. Название: Density Matrices and Density Functionals ISBN: 9401082146 ISBN-13(EAN): 9789401082143 Издательство: Springer Рейтинг: Цена: 50172.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the A. John Coleman Symposium
Автор: Paul G. Mezey; Beverly E. Robertson Название: Electron, Spin and Momentum Densities and Chemical Reactivity ISBN: 0792360850 ISBN-13(EAN): 9780792360858 Издательство: Springer Рейтинг: Цена: 30606.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.
Автор: Dietmar Stalke Название: Electron Density and Chemical Bonding II ISBN: 3642441564 ISBN-13(EAN): 9783642441561 Издательство: Springer Рейтинг: Цена: 39182.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.-B. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.-S. Reiher: Electron Density in Quantum Theory.-K.
Автор: Dietmar Stalke Название: Electron Density and Chemical Bonding I ISBN: 3642439055 ISBN-13(EAN): 9783642439056 Издательство: Springer Рейтинг: Цена: 36570.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Overgaard: Charge Density Methods in Hydrogen Bond Studies.-U. Stalke: Some Main Group Chemical Perceptions in the Light of Experimental Charge Density Investigations.-D. Hauf: On the Nature of ss-Agostic Interactions: A Comparison Between the Molecular Orbital and Charge Density Picture.
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.
Автор: Gabriele Centi; Blanka Wichterlov?; Alexis T. Bell Название: Catalysis by Unique Metal Ion Structures in Solid Matrices ISBN: 0792368746 ISBN-13(EAN): 9780792368748 Издательство: Springer Рейтинг: Цена: 30606.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Covers both theoretical and experimental aspects, including the distribution of framework Al atoms in Si-rich zeolites, distribution and siting of charge-exchanged metal cations, electronic, adsorptive and catalytic properties of metal cations, and correlation of metal cation structure and siting with catalytic activity.
Автор: Gabriele Centi; Blanka Wichterlov?; Alexis T. Bell Название: Catalysis by Unique Metal Ion Structures in Solid Matrices ISBN: 0792368754 ISBN-13(EAN): 9780792368755 Издательство: Springer Рейтинг: Цена: 13275.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the NATO Advanced Research Workshop, held in Prague-Pruhonice, Czech Republic, July 4-7, 2000
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