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Masaaki Saitow
Masaaki Saitow
Jitaku
Email verificata su chem.nagoya-u.ac.jp
Titolo
Citata da
Citata da
Anno
Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
RM Parrish, LA Burns, DGA Smith, AC Simmonett, AE DePrince III, ...
Journal of chemical theory and computation 13 (7), 3185-3197, 2017
11512017
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
M Saitow, U Becker, C Riplinger, EF Valeev, F Neese
The Journal of chemical physics 146 (16), 2017
3372017
Decomposition of intermolecular interaction energies within the local pair natural orbital coupled cluster framework
WB Schneider, G Bistoni, M Sparta, M Saitow, C Riplinger, AA Auer, ...
Journal of chemical theory and computation 12 (10), 4778-4792, 2016
2572016
Density matrix renormalization group for ab initio Calculations and associated dynamic correlation methods: A review of theory and applications
T Yanai, Y Kurashige, W Mizukami, J Chalupský, TN Lan, M Saitow
International Journal of Quantum Chemistry 115 (5), 283-299, 2015
1842015
Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function
M Saitow, Y Kurashige, T Yanai
The Journal of chemical physics 139 (4), 2013
1352013
Local energy decomposition of open-shell molecular systems in the domain-based local pair natural orbital coupled cluster framework
A Altun, M Saitow, F Neese, G Bistoni
Journal of chemical theory and computation 15 (3), 1616-1632, 2019
962019
Fully internally contracted multireference configuration interaction theory using density matrix renormalization group: A reduced-scaling implementation derived by computer …
M Saitow, Y Kurashige, T Yanai
Journal of chemical theory and computation 11 (11), 5120-5131, 2015
752015
A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states
AK Dutta, M Saitow, B Demoulin, F Neese, R Izsák
The Journal of Chemical Physics 150 (16), 2019
642019
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD (T/T)]
Y Guo, C Riplinger, DG Liakos, U Becker, M Saitow, F Neese
The Journal of chemical physics 152 (2), 2020
592020
A near-linear scaling equation of motion coupled cluster method for ionized states
AK Dutta, M Saitow, C Riplinger, F Neese, R Izsák
The Journal of Chemical Physics 148 (24), 2018
582018
Multistate complete-active-space second-order perturbation theory based on density matrix renormalization group reference states
T Yanai, M Saitow, XG Xiong, J Chalupský, Y Kurashige, S Guo, ...
Journal of chemical theory and computation 13 (10), 4829-4840, 2017
572017
Accurate spin-densities based on the domain-based local pair-natural orbital coupled-cluster theory
M Saitow, F Neese
The Journal of Chemical Physics 149 (3), 2018
562018
Domain-based local pair natural orbital version of Mukherjee’s state-specific coupled cluster method
J Brabec, J Lang, M Saitow, J Pittner, F Neese, O Demel
Journal of chemical theory and computation 14 (3), 1370-1382, 2018
392018
Radical O–O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory
Y Kurashige, M Saitow, J Chalupský, T Yanai
Physical Chemistry Chemical Physics 16 (24), 11988-11999, 2014
262014
Perturbative triples correction to domain-based local pair natural orbital variants of Mukherjee's state specific coupled cluster method
J Lang, J Brabec, M Saitow, J Pittner, F Neese, O Demel
Physical Chemistry Chemical Physics 21 (9), 5022-5038, 2019
162019
A multireference coupled-electron pair approximation combined with complete-active space perturbation theory in local pair-natural orbital framework
M Saitow, T Yanai
The Journal of Chemical Physics 152 (11), 2020
102020
Excited state calculation for free-base and metalloporphyrins with the partially renormalized polarization propagator approach
M Saitow, Y Mochizuki
Chemical Physics Letters 525, 144-149, 2012
92012
A local pair-natural orbital-based complete-active space perturbation theory using orthogonal localized virtual molecular orbitals
M Saitow, K Uemura, T Yanai
The Journal of Chemical Physics 157 (8), 2022
72022
Accurate Ionization Potentials, Electron Affinities and Electronegativities of Single-Walled Carbon Nanotubes by State-of-the-Art Local Coupled-Cluster Theory
M Saitow, AK Dutta, F Neese
Bulletin of the Chemical Society of Japan 92 (1), 170-174, 2019
52019
Influence of the choice of projection manifolds in the CASPT2 implementation
T Yanai, Y Kurashige, M Saitow, J Chalupský, R Lindh, PĹ Malmqvist
Molecular Physics 115 (17-18), 2077-2085, 2017
52017
Il sistema al momento non puň eseguire l'operazione. Riprova piů tardi.
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