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Benchmarking CASPT3 vertical excitation energies.
Boggio-Pasqua M, Jacquemin D, Loos PF. Boggio-Pasqua M, et al. Among authors: loos pf. J Chem Phys. 2022 Jul 7;157(1):014103. doi: 10.1063/5.0095887. J Chem Phys. 2022. PMID: 35803808
Theoretical 0-0 Energies with Chemical Accuracy.
Loos PF, Galland N, Jacquemin D. Loos PF, et al. J Phys Chem Lett. 2018 Aug 16;9(16):4646-4651. doi: 10.1021/acs.jpclett.8b02058. Epub 2018 Aug 2. J Phys Chem Lett. 2018. PMID: 30063359
Reference Energies for Double Excitations.
Loos PF, Boggio-Pasqua M, Scemama A, Caffarel M, Jacquemin D. Loos PF, et al. J Chem Theory Comput. 2019 Mar 12;15(3):1939-1956. doi: 10.1021/acs.jctc.8b01205. Epub 2019 Feb 13. J Chem Theory Comput. 2019. PMID: 30689951
97 results