Kurashige Y - Search Results

1

Prediction models considering psychological factors to identify pain relief in conservative treatment of people with knee osteoarthritis: A multicenter, prospective cohort study.

Tanaka R, Hirohama K, Kurashige Y, Mito K, Miyamoto S, Masuda R, Morita T, Yokota S, Sato S. Tanaka R, et al. Among authors: kurashige y. J Orthop Sci. 2020 Jul;25(4):618-626. doi: 10.1016/j.jos.2019.06.016. Epub 2019 Aug 2. J Orthop Sci. 2020. PMID: 31383387

2

Acid/base-regulated reversible electron transfer disproportionation of N-N linked bicarbazole and biacridine derivatives.

Pandit P, Yamamoto K, Nakamura T, Nishimura K, Kurashige Y, Yanai T, Nakamura G, Masaoka S, Furukawa K, Yakiyama Y, Kawano M, Higashibayashi S. Pandit P, et al. Among authors: kurashige y. Chem Sci. 2015 Jul 1;6(7):4160-4173. doi: 10.1039/c5sc00946d. Epub 2015 May 21. Chem Sci. 2015. PMID: 29218181 Free PMC article.

3

Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: theory and application to the study of chromium dimer.

Kurashige Y, Yanai T. Kurashige Y, et al. J Chem Phys. 2011 Sep 7;135(9):094104. doi: 10.1063/1.3629454. J Chem Phys. 2011. PMID: 21913750

4

Extended implementation of canonical transformation theory: parallelization and a new level-shifted condition.

Yanai T, Kurashige Y, Neuscamman E, Chan GK. Yanai T, et al. Among authors: kurashige y. Phys Chem Chem Phys. 2012 Jun 7;14(21):7809-20. doi: 10.1039/c2cp23767a. Epub 2012 May 10. Phys Chem Chem Phys. 2012. PMID: 22576009 Free article.

5

Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

Saitow M, Kurashige Y, Yanai T. Saitow M, et al. Among authors: kurashige y. J Chem Phys. 2013 Jul 28;139(4):044118. doi: 10.1063/1.4816627. J Chem Phys. 2013. PMID: 23901971

6

Complete active space second-order perturbation theory with cumulant approximation for extended active-space wavefunction from density matrix renormalization group.

Kurashige Y, Chalupský J, Lan TN, Yanai T. Kurashige Y, et al. J Chem Phys. 2014 Nov 7;141(17):174111. doi: 10.1063/1.4900878. J Chem Phys. 2014. PMID: 25381506

We report an extension of our previous development that incorporated quantum-chemical density matrix renormalization group (DMRG) into the complete active space second-order perturbation theory (CASPT2) [Y. Kurashige and T. Yanai, J. Chem. Phys. 135, 094104 (2011)]. …

We report an extension of our previous development that incorporated quantum-chemical density matrix renormalization group (DMRG) into the c …

7

Scalar relativistic calculations of hyperfine coupling constants using ab initio density matrix renormalization group method in combination with third-order Douglas-Kroll-Hess transformation: case studies on 4d transition metals.

Nguyen Lan T, Kurashige Y, Yanai T. Nguyen Lan T, et al. Among authors: kurashige y. J Chem Theory Comput. 2015 Jan 13;11(1):73-81. doi: 10.1021/ct5007778. J Chem Theory Comput. 2015. PMID: 26574205

8

Fully Internally Contracted Multireference Configuration Interaction Theory Using Density Matrix Renormalization Group: A Reduced-Scaling Implementation Derived by Computer-Aided Tensor Factorization.

Saitow M, Kurashige Y, Yanai T. Saitow M, et al. Among authors: kurashige y. J Chem Theory Comput. 2015 Nov 10;11(11):5120-31. doi: 10.1021/acs.jctc.5b00270. Epub 2015 Oct 13. J Chem Theory Comput. 2015. PMID: 26574310

9

Toward Reliable Prediction of Hyperfine Coupling Constants Using Ab Initio Density Matrix Renormalization Group Method: Diatomic (2)Σ and Vinyl Radicals as Test Cases.

Lan TN, Kurashige Y, Yanai T. Lan TN, et al. Among authors: kurashige y. J Chem Theory Comput. 2014 May 13;10(5):1953-67. doi: 10.1021/ct400978j. J Chem Theory Comput. 2014. PMID: 26580523

10

Computational Evidence of Inversion of (1)La and (1)Lb-Derived Excited States in Naphthalene Excimer Formation from ab Initio Multireference Theory with Large Active Space: DMRG-CASPT2 Study.

Shirai S, Kurashige Y, Yanai T. Shirai S, et al. Among authors: kurashige y. J Chem Theory Comput. 2016 May 10;12(5):2366-72. doi: 10.1021/acs.jctc.6b00210. Epub 2016 Apr 15. J Chem Theory Comput. 2016. PMID: 27082241

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