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Magnetic optical rotation from real-time simulations in finite magnetic fields.
Ofstad BS, Wibowo-Teale M, Kristiansen HE, Aurbakken E, Kitsaras MP, Schøyen ØS, Hauge E, Irons TJP, Kvaal S, Stopkowicz S, Wibowo-Teale AM, Pedersen TB. Ofstad BS, et al. Among authors: pedersen tb. J Chem Phys. 2023 Nov 28;159(20):204109. doi: 10.1063/5.0171927. J Chem Phys. 2023. PMID: 38018753
Modern quantum chemistry with [Open]Molcas.
Aquilante F, Autschbach J, Baiardi A, Battaglia S, Borin VA, Chibotaru LF, Conti I, De Vico L, Delcey M, Fdez Galván I, Ferré N, Freitag L, Garavelli M, Gong X, Knecht S, Larsson ED, Lindh R, Lundberg M, Malmqvist PÅ, Nenov A, Norell J, Odelius M, Olivucci M, Pedersen TB, Pedraza-González L, Phung QM, Pierloot K, Reiher M, Schapiro I, Segarra-Martí J, Segatta F, Seijo L, Sen S, Sergentu DC, Stein CJ, Ungur L, Vacher M, Valentini A, Veryazov V. Aquilante F, et al. Among authors: pedersen tb. J Chem Phys. 2020 Jun 7;152(21):214117. doi: 10.1063/5.0004835. J Chem Phys. 2020. PMID: 32505150
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.
Olsen JMH, Reine S, Vahtras O, Kjellgren E, Reinholdt P, Hjorth Dundas KO, Li X, Cukras J, Ringholm M, Hedegård ED, Di Remigio R, List NH, Faber R, Cabral Tenorio BN, Bast R, Pedersen TB, Rinkevicius Z, Sauer SPA, Mikkelsen KV, Kongsted J, Coriani S, Ruud K, Helgaker T, Jensen HJA, Norman P. Olsen JMH, et al. Among authors: pedersen tb. J Chem Phys. 2020 Jun 7;152(21):214115. doi: 10.1063/1.5144298. J Chem Phys. 2020. PMID: 32505165
Linear and Nonlinear Optical Properties from TDOMP2 Theory.
Kristiansen HE, Ofstad BS, Hauge E, Aurbakken E, Schøyen ØS, Kvaal S, Pedersen TB. Kristiansen HE, et al. Among authors: pedersen tb. J Chem Theory Comput. 2022 Jun 14;18(6):3687-3702. doi: 10.1021/acs.jctc.1c01309. Epub 2022 Apr 18. J Chem Theory Comput. 2022. PMID: 35436120 Free PMC article.
Correction to "Linear and Nonlinear Optical Properties from TDOMP2 Theory".
Kristiansen HE, Ofstad BS, Hauge E, Aurbakken E, Schøyen ØS, Kvaal S, Pedersen TB. Kristiansen HE, et al. Among authors: pedersen tb. J Chem Theory Comput. 2022 Sep 13;18(9):5755-5757. doi: 10.1021/acs.jctc.2c00830. Epub 2022 Aug 25. J Chem Theory Comput. 2022. PMID: 36008087 Free PMC article. No abstract available.
97 results