The LCAO First Principles Treatment of Crystals and Nanostructures
Название публикации:
Quantum Chemistry of Solids; The LCAO First Principles Treatment of Crystals and Nanostructures, 2nd ed.
Тип:
Публикация
Выходные данные публикации:
Springer Series in Solid-State Sciences 153; Springer Berlin Heidelberg: Berlin, Heidelberg, 2012.
Дата публикации:
2012-01
Аннотация:
<p>The limitations of the first-principles HF LCAO calculations of the periodic systems are caused mainly by the necessity to evaluate of multicenter two-electron integrals whose number grows proportionally as N4 (N is the number of AOs used).</p>
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