An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron–electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much ...
%0 Journal Article
%1 publ9354251
%A Shiozaki, Toru
%A Knizia, Gerald
%A Werner, Hans Joachim
%D 2011
%J J. Chem. Phys.
%K chemie imported werner from:alexanderdenzel theoretische stuttgart theochem
%N 3
%R 10.1063/1.3528720
%T Explicitly correlated multireference configuration interaction: MRCI-F12
%U http://dx.doi.org/10.1063/1.3528720
%V 134
%X An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron–electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much ...
@article{publ9354251,
abstract = {An internally contracted multireference configuration interaction is developed which employs wave functions that explicitly depend on the electron–electron distance (MRCI-F12). This MRCI-F12 method has the same applicability as the MRCI method, while having much ...},
added-at = {2019-03-01T15:49:42.000+0100},
author = {Shiozaki, Toru and Knizia, Gerald and Werner, Hans Joachim},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/298c668ab423c73ee0ec5480c99748b7f/theochem},
doi = {10.1063/1.3528720},
interhash = {88fcec1c1e819732e58fe6df2414d7fe},
intrahash = {98c668ab423c73ee0ec5480c99748b7f},
issn = {00219606},
journal = {J. Chem. Phys.},
keywords = {chemie imported werner from:alexanderdenzel theoretische stuttgart theochem},
number = 3,
timestamp = {2019-03-01T14:49:42.000+0100},
title = {{Explicitly correlated multireference configuration interaction: MRCI-F12}},
url = {http://dx.doi.org/10.1063/1.3528720},
volume = 134,
year = 2011
}
