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Configuration interactions
11
"Spin contamination-free N -electron wave functions in the excitation-based configuration interaction treatment" (2016) Alcoba, D.R.;Torre, A.;Lain, L. (...)Capuzzi, P. Journal of Chemical Physics. 145(1)
"Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions" (2015) Van Raemdonck, M.;Alcoba, D.R.;Poelmans, W. (...)Bultinck, P. Journal of Chemical Physics. 143(10)
"The Dalton quantum chemistry program system" (2014) Aidas, K.;Angeli, C.;Bak, K.L. (...)Ågren, H. Wiley Interdisciplinary Reviews: Computational Molecular Science. 4(3):269-284
"Correlated n1,3S states for two-electron atoms in screened potentials" (2014) Ancarani, L.U.; Rodriguez, K.V.; Gasaneo, G.; Mitnik, D.M. 28th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2013. 488(SECTION 15)
"Configuration interaction wave functions: A seniority number approach" (2014) Alcoba, D.R.;Torre, A.;Lain, L. (...)Oña, O.B. Journal of Chemical Physics. 140(23)
"Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions" (2013) Alcoba, D.R.;Torre, A.;Lain, L. (...)Oña, O.B. Journal of Chemical Physics. 139(8)
"Fukui and dual-descriptor matrices in the basis-set representation: A spin-free approach" (2012) Alcoba, D.R.;Tiznado, W.;Oña, O.B. (...)Lain, L. Chemical Physics Letters. 533:114-117
"Optimized solution procedure of the G-particle-hole hypervirial equation for multiplets: Application to doublet and triplet states" (2011) Alcoba, D.R.;Valdemoro, C.;Tel, L.M. (...)Oña, O.B. Journal of Physical Chemistry A. 115(12):2599-2606
"Topology of the electron density in open-shell systems" (2010) Lobayan, R.M.;Alcoba, D.R.;Bochicchio, R.C. (...)Lain, L. Journal of Physical Chemistry A. 114(2):1200-1206