A Karolewski
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Explore the profile of A Karolewski including associated specialties, affiliations and a list of published articles.
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2
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13
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Recent Articles
1.
Karolewski A, Armiento R, Kummel S
J Chem Theory Comput
. 2015 Nov;
5(4):712-8.
PMID: 26609576
Predicting the polarizabilities of extended conjugated molecules with semilocal functionals has been a long-standing problem in density functional theory. These difficulties are due to the absence of a term in...
2.
Karolewski A, Stein T, Baer R, Kummel S
J Chem Phys
. 2011 Apr;
134(15):151101.
PMID: 21513368
Systematically varying the optical gap that is associated with charge-transfer excitations is an important step in the design of light-harvesting molecules. So far the guidance that time-dependent density functional theory...