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Zero field splitting of the chalcogen diatomics using relativistic correlated wave-function methods
J.-B. Rota, Stefan Knecht, Timo Fleig, Dmitry Ganyushin, Trond Saue, Frank Neese, Hélène Bolvin (2011). Zero field splitting of the chalcogen diatomics using relativistic correlated wave-function methods. The Journal of Chemical Physics, 135(11), DOI: 10.1063/1.3636084.
Article377 days agoDensity Matrix Renormalization Group Pair-Density Functional Theory\n (DMRG-PDFT): Singlet-Triplet Gaps in Polyacenes and Polyacetylenes
Prachi Sharma, Varinia Bernales, Stefan Knecht, Donald G Truhlar, Laura Gagliardi (2018). Density Matrix Renormalization Group Pair-Density Functional Theory\n (DMRG-PDFT): Singlet-Triplet Gaps in Polyacenes and Polyacetylenes. , DOI: https://doi.org/10.48550/arxiv.1808.06273.
Preprint15 days ago