Publikationen von Masaaki Saitow
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Zeitschriftenartikel (5)
2019
Zeitschriftenartikel
Saitow, M.; ; Neese, F.; Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method. Physical Chemistry Chemical Physics 2019, 21, 5022–5038.
; ; 2018
Zeitschriftenartikel
Saitow, M.; Neese, F. Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory. The Journal of Chemical Physics 2018, 149, 034104.
Zeitschriftenartikel
Saitow, M.; ; Neese, F.; Domain-Based Local Pair Natural Orbital Version of Mukherjee’s State-Specific Coupled Cluster Method. Journal of Chemical Theory and Computation 2018, 14, 1370–1382.
; ; 2017
Zeitschriftenartikel
Saitow, M.; Becker, U.; Riplinger, C.; ; Neese, F. A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory. The Journal of Chemical Physics 2017, 146, 164105.
2016
Zeitschriftenartikel
Schneider, W. B.; Bistoni, G.; Sparta, M.; Saitow, M.; Riplinger, C.; Auer, A. A.; Neese, F. Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework. Journal of Chemical Theory and Computation 2016, 12, 4778–4792.