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Electron correlation effects in third-order densities.
Rodriguez-Mayorga M, Ramos-Cordoba E, Feixas F, Matito E. Rodriguez-Mayorga M, et al. Phys Chem Chem Phys. 2017 Feb 8;19(6):4522-4529. doi: 10.1039/c6cp07616e. Phys Chem Chem Phys. 2017. PMID: 28121319
Local spins: improved Hilbert-space analysis.
Ramos-Cordoba E, Matito E, Salvador P, Mayer I. Ramos-Cordoba E, et al. Phys Chem Chem Phys. 2012 Nov 28;14(44):15291-8. doi: 10.1039/c2cp42513k. Epub 2012 Oct 10. Phys Chem Chem Phys. 2012. PMID: 23051969
Diradical character from the local spin analysis.
Ramos-Cordoba E, Salvador P. Ramos-Cordoba E, et al. Phys Chem Chem Phys. 2014 May 28;16(20):9565-71. doi: 10.1039/c4cp00939h. Phys Chem Chem Phys. 2014. PMID: 24728091
Two new constraints for the cumulant matrix.
Ramos-Cordoba E, Salvador P, Piris M, Matito E. Ramos-Cordoba E, et al. J Chem Phys. 2014 Dec 21;141(23):234101. doi: 10.1063/1.4903449. J Chem Phys. 2014. PMID: 25527913
Toward a Unique Definition of the Local Spin.
Ramos-Cordoba E, Matito E, Mayer I, Salvador P. Ramos-Cordoba E, et al. J Chem Theory Comput. 2012 Apr 10;8(4):1270-9. doi: 10.1021/ct300050c. Epub 2012 Mar 16. J Chem Theory Comput. 2012. PMID: 26596743
Separation of dynamic and nondynamic correlation.
Ramos-Cordoba E, Salvador P, Matito E. Ramos-Cordoba E, et al. Phys Chem Chem Phys. 2016 Aug 24;18(34):24015-23. doi: 10.1039/c6cp03072f. Phys Chem Chem Phys. 2016. PMID: 27523386
Local Descriptors of Dynamic and Nondynamic Correlation.
Ramos-Cordoba E, Matito E. Ramos-Cordoba E, et al. J Chem Theory Comput. 2017 Jun 13;13(6):2705-2711. doi: 10.1021/acs.jctc.7b00293. Epub 2017 Jun 2. J Chem Theory Comput. 2017. PMID: 28520420 Free article.
30 results