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Chemical Science 2019

Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet–triplet gaps in polyacenes and polyacetylenes

Sharma, Prachi, Bernales, Varinia, Knecht, Stefan, Truhlar, Donald G., Gagliardi, Laura
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Year:
2019
Language:
english
Journal:
Chemical Science
DOI:
10.1039/c8sc03569e
File:
PDF, 700 KB
english, 2019
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