Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000798385> ?p ?o ?g. }
- W2000798385 abstract "A general scheme for systematically modeling long-range corrected (LC) hybrid density functionals is proposed. Our resulting two LC hybrid functionals are shown to be accurate in thermochemistry, kinetics, and noncovalent interactions, when compared with common hybrid density functionals. The qualitative failures of the commonly used hybrid density functionals in some difficult problems, such as dissociation of symmetric radical cations and long-range charge-transfer excitations, are significantly reduced by the present LC hybrid density functionals." @default.
- W2000798385 created "2016-06-24" @default.
- W2000798385 creator A5015311244 @default.
- W2000798385 creator A5054139623 @default.
- W2000798385 date "2008-02-27" @default.
- W2000798385 modified "2023-10-18" @default.
- W2000798385 title "Systematic optimization of long-range corrected hybrid density functionals" @default.
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- W2000798385 doi "https://doi.org/10.1063/1.2834918" @default.
- W2000798385 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/18315032" @default.
- W2000798385 hasPublicationYear "2008" @default.
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