@article{ISI:000323712400002,
 abstract = {Fundamental gap renormalization due to electronic polarization is a
basic phenomenon in molecular crystals. Despite its ubiquity and
importance, all conventional approaches within density-functional theory
completely fail to capture it, even qualitatively. Here, we present a
new screened range-separated hybrid functional, which, through judicious
introduction of the scalar dielectric constant, quantitatively captures
polarization-induced gap renormalization, as demonstrated on the
prototypical organic molecular crystals of benzene, pentacene, and C-60.
This functional is predictive, as it contains system-specific adjustable
parameters that are determined from first principles, rather than from
empirical considerations.},
 article-number = {081204},
 author = {Refaely-Abramson, Sivan and Sharifzadeh, Sahar and Jain, Manish and
Baer, Roi and Neaton, Jeffrey B. and Kronik, Leeor},
 doi = {10.1103/PhysRevB.88.081204},
 eissn = {2469-9969},
 issn = {2469-9950},
 journal = {PHYSICAL REVIEW B},
 month = {AUG 30},
 number = {8},
 orcid-numbers = {Sharifzadeh, Sahar/0000-0003-4215-4668
Neaton, Jeffrey/0000-0001-7585-6135
Jain, Manish/0000-0001-9329-6434
Kronik, Leeor/0000-0001-6791-8658},
 researcherid-numbers = {Sharifzadeh, Sahar/L-9367-2013
Sharifzadeh, Sahar/P-4881-2016
Neaton, Jeffrey/F-8578-2015
Jain, Manish/A-8303-2010
Baer, Roi/AAQ-6456-2020
},
 times-cited = {146},
 title = {Gap renormalization of molecular crystals from density-functional theory},
 unique-id = {ISI:000323712400002},
 volume = {88},
 year = {2013}
}