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: 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.
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