Massaccesi GE - Search Results

1

Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands.

Alcoba DR, Oña OB, Massaccesi GE, Torre A, Lain L, Melo JI, Peralta JE, Oliva-Enrich JM. Alcoba DR, et al. Among authors: massaccesi ge. Inorg Chem. 2018 Jul 2;57(13):7763-7769. doi: 10.1021/acs.inorgchem.8b00815. Epub 2018 Jun 12. Inorg Chem. 2018. PMID: 29894170

2

Seniority number in spin-adapted spaces and compactness of configuration interaction wave functions.

Alcoba DR, Torre A, Lain L, Massaccesi GE, Oña OB. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2013 Aug 28;139(8):084103. doi: 10.1063/1.4818755. J Chem Phys. 2013. PMID: 24006970

3

Configuration interaction wave functions: a seniority number approach.

Alcoba DR, Torre A, Lain L, Massaccesi GE, Oña OB. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2014 Jun 21;140(23):234103. doi: 10.1063/1.4882881. J Chem Phys. 2014. PMID: 24952519

4

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions.

Van Raemdonck M, Alcoba DR, Poelmans W, De Baerdemacker S, Torre A, Lain L, Massaccesi GE, Van Neck D, Bultinck P. Van Raemdonck M, et al. Among authors: massaccesi ge. J Chem Phys. 2015 Sep 14;143(10):104106. doi: 10.1063/1.4930260. J Chem Phys. 2015. PMID: 26374017 Free article.

5

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

Poelmans W, Van Raemdonck M, Verstichel B, De Baerdemacker S, Torre A, Lain L, Massaccesi GE, Alcoba DR, Bultinck P, Van Neck D. Poelmans W, et al. Among authors: massaccesi ge. J Chem Theory Comput. 2015 Sep 8;11(9):4064-76. doi: 10.1021/acs.jctc.5b00378. Epub 2015 Aug 14. J Chem Theory Comput. 2015. PMID: 26575902

6

Spin contamination-free N-electron wave functions in the excitation-based configuration interaction treatment.

Alcoba DR, Torre A, Lain L, Massaccesi GE, Oña OB, Capuzzi P. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2016 Jul 7;145(1):014109. doi: 10.1063/1.4955159. J Chem Phys. 2016. PMID: 27394101

7

Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions: The influence of three-index N-representability conditions.

Alcoba DR, Torre A, Lain L, Massaccesi GE, Oña OB, Honoré EM, Poelmans W, Van Neck D, Bultinck P, De Baerdemacker S. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2018 Jan 14;148(2):024105. doi: 10.1063/1.5008811. J Chem Phys. 2018. PMID: 29331147

8

Variational reduced density matrix method in the doubly occupied configuration interaction space using three-particle N-representability conditions.

Alcoba DR, Capuzzi P, Rubio-García A, Dukelsky J, Massaccesi GE, Oña OB, Torre A, Lain L. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2018 Nov 21;149(19):194105. doi: 10.1063/1.5056247. J Chem Phys. 2018. PMID: 30466273

9

Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands.

Oña OB, Alcoba DR, Massaccesi GE, Torre A, Lain L, Melo JI, Oliva-Enrich JM, Peralta JE. Oña OB, et al. Among authors: massaccesi ge. Inorg Chem. 2019 Feb 18;58(4):2550-2557. doi: 10.1021/acs.inorgchem.8b03156. Epub 2019 Jan 29. Inorg Chem. 2019. PMID: 30694654

10

Unrestricted treatment for the direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions.

Alcoba DR, Torre A, Lain L, Massaccesi GE, Oña OB, Ríos E. Alcoba DR, et al. Among authors: massaccesi ge. J Chem Phys. 2019 Apr 28;150(16):164106. doi: 10.1063/1.5092182. J Chem Phys. 2019. PMID: 31042927

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