| A pentanuclear iron catalyst designed for water oxidation M Okamura, M Kondo, R Kuga, Y Kurashige, T Yanai, S Hayami, ... Nature 530 (7591), 465-468, 2016 | 399 | 2016 |
| Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer Y Kurashige, T Yanai The Journal of chemical physics 135 (9), 2011 | 304 | 2011 |
| Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II Y Kurashige, GKL Chan, T Yanai Nature chemistry 5 (8), 660-666, 2013 | 262 | 2013 |
| High-performance ab initio density matrix renormalization group method: Applicability to large-scale multireference problems for metal compounds Y Kurashige, T Yanai The Journal of chemical physics 130 (23), 2009 | 210 | 2009 |
| Theoretical investigation of the excited states of coumarin dyes for dye-sensitized solar cells Y Kurashige, T Nakajima, S Kurashige, K Hirao, Y Nishikitani The Journal of Physical Chemistry A 111 (25), 5544-5548, 2007 | 197 | 2007 |
| Coherent singlet fission activated by symmetry breaking K Miyata, Y Kurashige, K Watanabe, T Sugimoto, S Takahashi, S Tanaka, ... Nature Chemistry 9 (10), 983-989, 2017 | 191 | 2017 |
| Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory T Yanai, Y Kurashige, E Neuscamman, GK Chan The Journal of chemical physics 132 (2), 2010 | 174 | 2010 |
| 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 | 173 | 2015 |
| Tensor factorizations of local second-order Møller–Plesset theory J Yang, Y Kurashige, FR Manby, GKL Chan The Journal of Chemical Physics 134 (4), 2011 | 173 | 2011 |
| 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 | 129 | 2013 |
| More π Electrons Make a Difference: Emergence of Many Radicals on Graphene Nanoribbons Studied by Ab Initio DMRG Theory W Mizukami, Y Kurashige, T Yanai Journal of chemical theory and computation 9 (1), 401-407, 2013 | 129 | 2013 |
| Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group Y Kurashige, J Chalupský, TN Lan, T Yanai The Journal of chemical physics 141 (17), 2014 | 116 | 2014 |
| Multireference electron correlation methods with density matrix renormalisation group reference functions Y Kurashige Molecular Physics 112 (11), 1485-1494, 2014 | 102 | 2014 |
| Accelerating convergence in iterative solution for large‐scale complete active space self‐consistent‐field calculations T Yanai, Y Kurashige, D Ghosh, GKL Chan International Journal of Quantum Chemistry 109 (10), 2178-2190, 2009 | 97 | 2009 |
| Multireference ab initio density matrix renormalization group (DMRG)-CASSCF and DMRG-CASPT2 study on the photochromic ring opening of spiropyran F Liu, Y Kurashige, T Yanai, K Morokuma Journal of Chemical Theory and Computation 9 (10), 4462-4469, 2013 | 74 | 2013 |
| The π→ π* excited states of long linear polyenes studied by the CASCI-MRMP method Y Kurashige, H Nakano, Y Nakao, K Hirao Chemical physics letters 400 (4-6), 425-429, 2004 | 72 | 2004 |
| 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 | 71 | 2015 |
| Aggregation‐induced photon upconversion through control of the triplet energy landscapes of the solution and solid states P Duan, N Yanai, Y Kurashige, N Kimizuka Angewandte Chemie International Edition 54 (26), 7544-7549, 2015 | 71 | 2015 |
| Singlet fission of non‐polycyclic aromatic molecules in organic photovoltaics S Kawata, YJ Pu, A Saito, Y Kurashige, T Beppu, H Katagiri, M Hada, ... Advanced Materials 28 (8), 1585-1590, 2016 | 69 | 2016 |
| Optimization of orbital-specific virtuals in local Møller-Plesset perturbation theory Y Kurashige, J Yang, GKL Chan, FR Manby The Journal of Chemical Physics 136 (12), 2012 | 66 | 2012 |
