These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
249 related articles for article (PubMed ID: 24511936)
1. Ab initio density matrix renormalization group study of magnetic coupling in dinuclear iron and chromium complexes. Harris TV; Kurashige Y; Yanai T; Morokuma K J Chem Phys; 2014 Feb; 140(5):054303. PubMed ID: 24511936 [TBL] [Abstract][Full Text] [Related]
2. Multireference Ab Initio Density Matrix Renormalization Group (DMRG)-CASSCF and DMRG-CASPT2 Study on the Photochromic Ring Opening of Spiropyran. Liu F; Kurashige Y; Yanai T; Morokuma K J Chem Theory Comput; 2013 Oct; 9(10):4462-9. PubMed ID: 26589164 [TBL] [Abstract][Full Text] [Related]
3. High-performance ab initio density matrix renormalization group method: applicability to large-scale multireference problems for metal compounds. Kurashige Y; Yanai T J Chem Phys; 2009 Jun; 130(23):234114. PubMed ID: 19548718 [TBL] [Abstract][Full Text] [Related]
4. Assessment of various natural orbitals as the basis of large active space density-matrix renormalization group calculations. Ma Y; Ma H J Chem Phys; 2013 Jun; 138(22):224105. PubMed ID: 23781781 [TBL] [Abstract][Full Text] [Related]
5. Exchange Coupling Interactions from the Density Matrix Renormalization Group and N-Electron Valence Perturbation Theory: Application to a Biomimetic Mixed-Valence Manganese Complex. Roemelt M; Krewald V; Pantazis DA J Chem Theory Comput; 2018 Jan; 14(1):166-179. PubMed ID: 29211960 [TBL] [Abstract][Full Text] [Related]
6. 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 J Chem Theory Comput; 2015 Nov; 11(11):5120-31. PubMed ID: 26574310 [TBL] [Abstract][Full Text] [Related]
7. 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 J Chem Theory Comput; 2014 May; 10(5):1953-67. PubMed ID: 26580523 [TBL] [Abstract][Full Text] [Related]
8. 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 J Chem Phys; 2014 Nov; 141(17):174111. PubMed ID: 25381506 [TBL] [Abstract][Full Text] [Related]
9. 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 J Chem Phys; 2011 Sep; 135(9):094104. PubMed ID: 21913750 [TBL] [Abstract][Full Text] [Related]
10. The density matrix renormalization group self-consistent field method: orbital optimization with the density matrix renormalization group method in the active space. Zgid D; Nooijen M J Chem Phys; 2008 Apr; 128(14):144116. PubMed ID: 18412432 [TBL] [Abstract][Full Text] [Related]
11. Radical O-O coupling reaction in diferrate-mediated water oxidation studied using multireference wave function theory. Kurashige Y; Saitow M; Chalupský J; Yanai T Phys Chem Chem Phys; 2014 Jun; 16(24):11988-99. PubMed ID: 24686771 [TBL] [Abstract][Full Text] [Related]
12. Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function. Saitow M; Kurashige Y; Yanai T J Chem Phys; 2013 Jul; 139(4):044118. PubMed ID: 23901971 [TBL] [Abstract][Full Text] [Related]
13. Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry Density Functional Theory and Multireference Density Matrix Renormalization Group Perspectives. Pantazis DA J Chem Theory Comput; 2019 Feb; 15(2):938-948. PubMed ID: 30645093 [TBL] [Abstract][Full Text] [Related]
14. Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study. Phung QM; Wouters S; Pierloot K J Chem Theory Comput; 2016 Sep; 12(9):4352-61. PubMed ID: 27547847 [TBL] [Abstract][Full Text] [Related]
15. Orbital optimization in the density matrix renormalization group, with applications to polyenes and beta-carotene. Ghosh D; Hachmann J; Yanai T; Chan GK J Chem Phys; 2008 Apr; 128(14):144117. PubMed ID: 18412433 [TBL] [Abstract][Full Text] [Related]
16. Externally-Contracted Multireference Configuration Interaction Method Using a DMRG Reference Wave Function. Luo Z; Ma Y; Wang X; Ma H J Chem Theory Comput; 2018 Sep; 14(9):4747-4755. PubMed ID: 30052433 [TBL] [Abstract][Full Text] [Related]
17. Multireference quantum chemistry through a joint density matrix renormalization group and canonical transformation theory. Yanai T; Kurashige Y; Neuscamman E; Chan GK J Chem Phys; 2010 Jan; 132(2):024105. PubMed ID: 20095661 [TBL] [Abstract][Full Text] [Related]
18. Kylin 1.0: An ab-initio density matrix renormalization group quantum chemistry program. Xie Z; Song Y; Peng F; Li J; Cheng Y; Zhang L; Ma Y; Tian Y; Luo Z; Ma H J Comput Chem; 2023 May; 44(13):1316-1328. PubMed ID: 36809661 [TBL] [Abstract][Full Text] [Related]
19. Detailed ab initio first-principles study of the magnetic anisotropy in a family of trigonal pyramidal iron(II) pyrrolide complexes. Atanasov M; Ganyushin D; Pantazis DA; Sivalingam K; Neese F Inorg Chem; 2011 Aug; 50(16):7460-77. PubMed ID: 21744845 [TBL] [Abstract][Full Text] [Related]
20. Linear response theory for the density matrix renormalization group: efficient algorithms for strongly correlated excited states. Nakatani N; Wouters S; Van Neck D; Chan GK J Chem Phys; 2014 Jan; 140(2):024108. PubMed ID: 24437866 [TBL] [Abstract][Full Text] [Related] [Next] [New Search]