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The Dalton quantum chemistry program system.
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, Fernández B, Ferrighi L, Fliegl H, Frediani L, Hald K, Halkier A, Hättig C, Heiberg H, Helgaker T, Hennum AC, Hettema H, Hjertenæs E, Høst S, Høyvik IM, Iozzi MF, Jansík B, Jensen HJ, Jonsson D, Jørgensen P, Kauczor J, Kirpekar S, Kjærgaard T, Klopper W, Knecht S, Kobayashi R, Koch H, Kongsted J, Krapp A, Kristensen K, Ligabue A, Lutnæs OB, Melo JI, Mikkelsen KV, Myhre RH, Neiss C, Nielsen CB, Norman P, Olsen J, Olsen JM, Osted A, Packer MJ, Pawlowski F, Pedersen TB, Provasi PF, Reine S, Rinkevicius Z, Ruden TA, Ruud K, Rybkin VV, Sałek P, Samson CC, de Merás AS, Saue T, Sauer SP, Schimmelpfennig B, Sneskov K, Steindal AH, Sylvester-Hvid KO, Taylor PR, Teale AM, Tellgren EI, Tew DP, Thorvaldsen AJ, Thøgersen L, Vahtras O, Watson MA, Wilson DJ, Ziolkowski M, Agren H. Aidas K, et al. Among authors: myhre rh. Wiley Interdiscip Rev Comput Mol Sci. 2014 May;4(3):269-284. doi: 10.1002/wcms.1172. Wiley Interdiscip Rev Comput Mol Sci. 2014. PMID: 25309629 Free PMC article.
Multi-level coupled cluster theory.
Myhre RH, Sánchez de Merás AM, Koch H. Myhre RH, et al. J Chem Phys. 2014 Dec 14;141(22):224105. doi: 10.1063/1.4903195. J Chem Phys. 2014. PMID: 25494730
The multilevel CC3 coupled cluster model.
Myhre RH, Koch H. Myhre RH, et al. J Chem Phys. 2016 Jul 28;145(4):044111. doi: 10.1063/1.4959373. J Chem Phys. 2016. PMID: 27475352
New and Efficient Implementation of CC3.
Paul AC, Myhre RH, Koch H. Paul AC, et al. Among authors: myhre rh. J Chem Theory Comput. 2021 Jan 12;17(1):117-126. doi: 10.1021/acs.jctc.0c00686. Epub 2020 Dec 2. J Chem Theory Comput. 2021. PMID: 33263255 Free PMC article.
Crossing conditions in coupled cluster theory.
Kjønstad EF, Myhre RH, Martínez TJ, Koch H. Kjønstad EF, et al. Among authors: myhre rh. J Chem Phys. 2017 Oct 28;147(16):164105. doi: 10.1063/1.4998724. J Chem Phys. 2017. PMID: 29096474
15 results