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.
201 related articles for article (PubMed ID: 22707921)
21. 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]
22. Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group. Hoyer CE; Hu H; Lu L; Knecht S; Li X J Phys Chem A; 2022 Aug; 126(30):5011-5020. PubMed ID: 35881436 [TBL] [Abstract][Full Text] [Related]
23. 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]
24. A Perturbative Density Matrix Renormalization Group Algorithm for Large Active Spaces. Guo S; Li Z; Chan GK J Chem Theory Comput; 2018 Aug; 14(8):4063-4071. PubMed ID: 29927592 [TBL] [Abstract][Full Text] [Related]
25. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems. Gagliardi L; Truhlar DG; Li Manni G; Carlson RK; Hoyer CE; Bao JL Acc Chem Res; 2017 Jan; 50(1):66-73. PubMed ID: 28001359 [TBL] [Abstract][Full Text] [Related]
26. Quantum Proton Effects from Density Matrix Renormalization Group Calculations. Feldmann R; Muolo A; Baiardi A; Reiher M J Chem Theory Comput; 2022 Jan; 18(1):234-250. PubMed ID: 34978441 [TBL] [Abstract][Full Text] [Related]
27. Calculating electron paramagnetic resonance g-matrices for triplet state molecules from multireference spin-orbit configuration interaction wave functions. Tatchen J; Kleinschmidt M; Marian CM J Chem Phys; 2009 Apr; 130(15):154106. PubMed ID: 19388735 [TBL] [Abstract][Full Text] [Related]
28. Second-Order Self-Consistent-Field Density-Matrix Renormalization Group. Ma Y; Knecht S; Keller S; Reiher M J Chem Theory Comput; 2017 Jun; 13(6):2533-2549. PubMed ID: 28485978 [TBL] [Abstract][Full Text] [Related]
29. Portably parallel construction of a configuration-interaction wave function from a matrix-product state using the Charm++ framework. Wang T; Ma Y; Zhao L; Jiang J J Comput Chem; 2020 Dec; 41(32):2707-2721. PubMed ID: 32986283 [TBL] [Abstract][Full Text] [Related]
30. Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms. Chan GK; Keselman A; Nakatani N; Li Z; White SR J Chem Phys; 2016 Jul; 145(1):014102. PubMed ID: 27394094 [TBL] [Abstract][Full Text] [Related]
31. SPOCK.CI: a multireference spin-orbit configuration interaction method for large molecules. Kleinschmidt M; Tatchen J; Marian CM J Chem Phys; 2006 Mar; 124(12):124101. PubMed ID: 16599656 [TBL] [Abstract][Full Text] [Related]
32. Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen). Wouters S; Bogaerts T; Van Der Voort P; Van Speybroeck V; Van Neck D J Chem Phys; 2014 Jun; 140(24):241103. PubMed ID: 24985611 [TBL] [Abstract][Full Text] [Related]
33. Density matrix renormalization group pair-density functional theory (DMRG-PDFT): singlet-triplet gaps in polyacenes and polyacetylenes. Sharma P; Bernales V; Knecht S; Truhlar DG; Gagliardi L Chem Sci; 2019 Feb; 10(6):1716-1723. PubMed ID: 30842836 [TBL] [Abstract][Full Text] [Related]
34. Spin-adapted density matrix renormalization group algorithms for quantum chemistry. Sharma S; Chan GK J Chem Phys; 2012 Mar; 136(12):124121. PubMed ID: 22462849 [TBL] [Abstract][Full Text] [Related]
35. 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]
36. DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes. Wouters S; Van Speybroeck V; Van Neck D J Chem Phys; 2016 Aug; 145(5):054120. PubMed ID: 27497552 [TBL] [Abstract][Full Text] [Related]
37. New Density Matrix Renormalization Group Approaches for Strongly Correlated Systems Coupled with Large Environments. Xu Y; Cheng Y; Song Y; Ma H J Chem Theory Comput; 2023 Aug; 19(15):4781-4795. PubMed ID: 37471519 [TBL] [Abstract][Full Text] [Related]
38. Spin-Projected Matrix Product States: Versatile Tool for Strongly Correlated Systems. Li Z; Chan GK J Chem Theory Comput; 2017 Jun; 13(6):2681-2695. PubMed ID: 28467847 [TBL] [Abstract][Full Text] [Related]
39. 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]
40. Post-Density Matrix Renormalization Group Methods for Describing Dynamic Electron Correlation with Large Active Spaces. Cheng Y; Xie Z; Ma H J Phys Chem Lett; 2022 Jan; 13(3):904-915. PubMed ID: 35049302 [TBL] [Abstract][Full Text] [Related] [Previous] [Next] [New Search]