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Recent developments in the general atomic and molecular electronic structure system.
Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. Among authors: kowalski k. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259
Extensive generalization of renormalized coupled-cluster methods.
Kowalski K, Piecuch P. Kowalski K, et al. J Chem Phys. 2005 Feb 15;122(7):074107. doi: 10.1063/1.1848093. J Chem Phys. 2005. PMID: 15743221
The recently developed completely renormalized (CR) coupled-cluster (CC) methods with singles, doubles, and noniterative triples or triples and quadruples [CR-CCSD(T) or CR-CCSD(TQ), respectively], which are based on the method of moments of CC equations (MMCC) [K. Kowa …
The recently developed completely renormalized (CR) coupled-cluster (CC) methods with singles, doubles, and noniterative triples or triples …
Comparison of low-order multireference many-body perturbation theories.
Chaudhuri RK, Freed KF, Hose G, Piecuch P, Kowalski K, Włoch M, Chattopadhyay S, Mukherjee D, Rolik Z, Szabados A, Tóth G, Surján PR. Chaudhuri RK, et al. Among authors: kowalski k. J Chem Phys. 2005 Apr 1;122(13):134105. doi: 10.1063/1.1863912. J Chem Phys. 2005. PMID: 15847453
Ab-initio coupled-cluster study of 16O.
Włoch M, Dean DJ, Gour JR, Hjorth-Jensen M, Kowalski K, Papenbrock T, Piecuch P. Włoch M, et al. Among authors: kowalski k. Phys Rev Lett. 2005 Jun 3;94(21):212501. doi: 10.1103/PhysRevLett.94.212501. Epub 2005 Jun 3. Phys Rev Lett. 2005. PMID: 16090314
623 results