Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4.
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%0 Journal Article
%1 journals/jcc/PierreOMDUD11
%A Pierre, Marco De La
%A Orlando, Roberto
%A Maschio, Lorenzo
%A Doll, K.
%A Ugliengo, Piero
%A Dovesi, Roberto
%D 2011
%J Journal of Computational Chemistry
%K dblp
%N 9
%P 1775-1784
%T Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4.
%U http://dblp.uni-trier.de/db/journals/jcc/jcc32.html#PierreOMDUD11
%V 32
@article{journals/jcc/PierreOMDUD11,
added-at = {2018-11-14T00:00:00.000+0100},
author = {Pierre, Marco De La and Orlando, Roberto and Maschio, Lorenzo and Doll, K. and Ugliengo, Piero and Dovesi, Roberto},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2d54a32c4afbe1c4efd600bd1fdac666b/dblp},
ee = {https://www.wikidata.org/entity/Q57887125},
interhash = {1e165a13e37f14bf052ab00dda64034c},
intrahash = {d54a32c4afbe1c4efd600bd1fdac666b},
journal = {Journal of Computational Chemistry},
keywords = {dblp},
number = 9,
pages = {1775-1784},
timestamp = {2019-09-27T06:58:04.000+0200},
title = {Performance of six functionals (LDA, PBE, PBESOL, B3LYP, PBE0, and WC1LYP) in the simulation of vibrational and dielectric properties of crystalline compounds. The case of forsterite Mg2SiO4.},
url = {http://dblp.uni-trier.de/db/journals/jcc/jcc32.html#PierreOMDUD11},
volume = 32,
year = 2011
}
