Описание: Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
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.
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.
Описание: The interest of describing the ground state properties of a system in terms of one electron density (or its two spin components) is obvious, in particular due to the simple physical significance of this function.
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.
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