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.
135 related articles for article (PubMed ID: 20446752)
1. ORMAS-SCF study of silicon (100) surface clusters. Roskop L; Gordon MS J Phys Chem A; 2010 Aug; 114(33):8817-23. PubMed ID: 20446752 [TBL] [Abstract][Full Text] [Related]
2. Quasi-degenerate second-order perturbation theory for occupation restricted multiple active space self-consistent field reference functions. Roskop L; Gordon MS J Chem Phys; 2011 Jul; 135(4):044101. PubMed ID: 21806084 [TBL] [Abstract][Full Text] [Related]
3. 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]
4. Model protein excited states: MRCI calculations with large active spaces vs CC2 method. Brenner V; Véry T; Schmidt MW; Gordon MS; Hoyau S; Ben Amor N J Chem Phys; 2021 Jun; 154(21):214105. PubMed ID: 34240962 [TBL] [Abstract][Full Text] [Related]
5. A Merger of the Spin-Flip ORMAS Approach and the MC-PDFT Method. Ferreras KN; Gordon MS J Chem Theory Comput; 2024 Jul; 20(13):5487-5496. PubMed ID: 38916956 [TBL] [Abstract][Full Text] [Related]
6. A tractable and accurate electronic structure method for static correlations: the perfect hextuples model. Parkhill JA; Head-Gordon M J Chem Phys; 2010 Jul; 133(2):024103. PubMed ID: 20632744 [TBL] [Abstract][Full Text] [Related]
7. The generalized active space concept in multiconfigurational self-consistent field methods. Ma D; Li Manni G; Gagliardi L J Chem Phys; 2011 Jul; 135(4):044128. PubMed ID: 21806111 [TBL] [Abstract][Full Text] [Related]
8. A general spin-complete spin-flip configuration interaction method. Mato J; Gordon MS Phys Chem Chem Phys; 2018 Jan; 20(4):2615-2626. PubMed ID: 29319079 [TBL] [Abstract][Full Text] [Related]
9. A systematic multireference perturbation-theory study of the low-lying states of SiC3. Rintelman JM; Gordon MS; Fletcher GD; Ivanic J J Chem Phys; 2006 Jan; 124(3):034303. PubMed ID: 16438579 [TBL] [Abstract][Full Text] [Related]
10. The perfect quadruples model for electron correlation in a valence active space. Parkhill JA; Lawler K; Head-Gordon M J Chem Phys; 2009 Feb; 130(8):084101. PubMed ID: 19256591 [TBL] [Abstract][Full Text] [Related]
11. An efficient algorithm for complete active space valence bond self-consistent field calculation. Song J; Chen Z; Shaik S; Wu W J Comput Chem; 2013 Jan; 34(1):38-48. PubMed ID: 22961819 [TBL] [Abstract][Full Text] [Related]
12. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study. Sinnecker S; Neese F J Phys Chem A; 2006 Nov; 110(44):12267-75. PubMed ID: 17078624 [TBL] [Abstract][Full Text] [Related]
13. The problem of hole localization in inner-shell states of N2 and CO2 revisited with complete active space self-consistent field approach. Rocha AB; de Moura CE J Chem Phys; 2011 Dec; 135(22):224112. PubMed ID: 22168685 [TBL] [Abstract][Full Text] [Related]
14. Molecular dynamics implementation in MSINDO: study of silicon clusters. Nair NN; Bredow T; Jug K J Comput Chem; 2004 Jul; 25(10):1255-63. PubMed ID: 15139038 [TBL] [Abstract][Full Text] [Related]
15. Analytic Gradients for the Spin-Flip ORMAS-CI Method: Optimizing Minima, Saddle Points, and Conical Intersections. Mato J; Gordon MS J Phys Chem A; 2019 Feb; 123(6):1260-1272. PubMed ID: 30645115 [TBL] [Abstract][Full Text] [Related]
17. Block correlated coupled cluster theory with a complete active-space self-consistent-field reference function: the formulation and test applications for single bond breaking. Fang T; Li S J Chem Phys; 2007 Nov; 127(20):204108. PubMed ID: 18052420 [TBL] [Abstract][Full Text] [Related]
18. Analytic non-adiabatic couplings for the spin-flip ORMAS method. Mato J; Gordon MS Phys Chem Chem Phys; 2020 Jan; 22(3):1475-1484. PubMed ID: 31868182 [TBL] [Abstract][Full Text] [Related]
19. Ab initio floating occupation molecular orbital-complete active space configuration interaction: an efficient approximation to CASSCF. Slavícek P; Martínez TJ J Chem Phys; 2010 Jun; 132(23):234102. PubMed ID: 20572684 [TBL] [Abstract][Full Text] [Related]
20. 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] [Next] [New Search]