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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: wloch m. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259
Extension of the renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed hamiltonian to open-shell systems: a benchmark study.
Włoch M, Gour JR, Piecuch P. Włoch M, et al. J Phys Chem A. 2007 Nov 8;111(44):11359-82. doi: 10.1021/jp072535l. J Phys Chem A. 2007. PMID: 17973457
The recently formulated completely renormalized coupled-cluster method with singles, doubles, and noniterative triples, exploiting the biorthogonal form of the method of moments of coupled-cluster equations (Piecuch, P.; Wloch, M. J. Chem. Phys. 2005, 123, 224105; P …
The recently formulated completely renormalized coupled-cluster method with singles, doubles, and noniterative triples, exploiting the biort …
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. 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
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: wloch m. J Chem Phys. 2005 Apr 1;122(13):134105. doi: 10.1063/1.1863912. J Chem Phys. 2005. PMID: 15847453
60 results