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Page 1
Multi-level coupled cluster theory.
Myhre RH, Sánchez de Merás AM, Koch H. Myhre RH, et al. Among authors: sanchez de meras am. J Chem Phys. 2014 Dec 14;141(22):224105. doi: 10.1063/1.4903195. J Chem Phys. 2014. PMID: 25494730
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: de meras as. 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.
The Emergence of the Hexagonal Lattice in Two-Dimensional Wigner Fragments.
Escobar Azor M, Alrakik A, de Bentzmann L, Telleria-Allika X, Sánchez de Merás A, Evangelisti S, Berger JA. Escobar Azor M, et al. Among authors: sanchez de meras a. J Phys Chem Lett. 2024 Apr 4;15(13):3571-3575. doi: 10.1021/acs.jpclett.4c00453. Epub 2024 Mar 25. J Phys Chem Lett. 2024. PMID: 38526852
Fast noniterative orbital localization for large molecules.
Aquilante F, Pedersen TB, Sánchez de Merás A, Koch H. Aquilante F, et al. Among authors: sanchez de meras a. J Chem Phys. 2006 Nov 7;125(17):174101. doi: 10.1063/1.2360264. J Chem Phys. 2006. PMID: 17100423
23 results