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Yuki Kurashige
Yuki Kurashige
Verified email at kuchem.kyoto-u.ac.jp - Homepage
Title
Cited by
Cited by
Year
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
4352016
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
3132011
Entangled quantum electronic wavefunctions of the Mn4CaO5 cluster in photosystem II
Y Kurashige, GKL Chan, T Yanai
Nature chemistry 5 (8), 660-666, 2013
2712013
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
2212009
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
2012017
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
1962007
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
1852011
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 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
1802010
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
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
1342013
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
1212014
Multireference electron correlation methods with density matrix renormalisation group reference functions
Y Kurashige
Molecular Physics 112 (11), 1485-1494, 2014
1042014
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
982009
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
782013
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
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 127 (26), 7654-7659, 2015
742015
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
742012
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
742004
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 (Deerfield Beach, Fla.) 28 (8), 1585-1590, 2015
732015
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