使.

Nóra Kovács1, Szymon Śmiga2, Martin Kaupp1

  • 1Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, D-10623 Berlin, Germany.

概括

第一个双重局部双重混合 (DLDH) 函数优化了取决于位置的混合,以进行交换和相关联. 优化的DLDH表现出更好的性能,可能消除了量子化学计算中分散校正的需要.

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