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Roos augmented

Roos augmented double- and triple-zeta ANO Available for Fl(8.v4/i) to i sAp id) through Zn(2Lvl5/il0r/6/) to (2Lvl5/il0r/6/4 ). [Pg.88]

The DFT calculations presented here were obtained with B3P86, in combination with cc-pVDZ for Li clusters, and St-RECP for coinage metals, hence, UB3P86/St-RECP. Specifically, UB3P86/St-RECP was shown [2e,f to have a very small basis set superposition error (BSSE), and was compatible with the results of the extended augmented double zeta atomic natural orbital (ANO) basis set of Roos et al. [28] Other DFT methods were tried, and the results were similar to UB3P86 [2f. ... [Pg.170]

See other pages where Roos augmented is mentioned: [Pg.399]    [Pg.399]    [Pg.399]    [Pg.296]    [Pg.88]    [Pg.399]    [Pg.399]    [Pg.399]    [Pg.296]    [Pg.88]    [Pg.79]    [Pg.29]    [Pg.17]    [Pg.144]    [Pg.48]    [Pg.12]    [Pg.733]   
See also in sourсe #XX -- [ Pg.88 ]

See also in sourсe #XX -- [ Pg.88 ]



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