hello steffan! I appreciate your contact.
I would like to get the expected value of <1 / r³> corresponding to the
valence states that contributes significantly to Vzz, in this case V_ {zz}
^ {p} and V_ {zz} ^ {d}Em sex, 18 de out de 2019 às 05:19, Wanderson Lobato Ferreira < [email protected]> escreveu: > Hello everyone. I am investigating electric hyperfine interactions and > performing non-spinpolarized calculations. > In the PAS of the efg, what would be the calculation protocol for > estimating the expected value of <1 / r ^ 3> to determine the valence part > of the main component Vzz ? >
_______________________________________________ Wien mailing list [email protected] http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/[email protected]/index.html

