A critical analysis of the performance of new generation functionals on the calculation of the (hyper) polarizabilities of clusters of varying stoichiometry: Test case the Si mGe n ( m + n = 7, n = 0–7) clusters

Autor: Xenides, Demetrios, Karamanis, Panaghiotis, Pouchan, Claude
Zdroj: In Chemical Physics Letters 2010 498(1):134-139
Databáze: ScienceDirect