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Juan E Peralta

Affiliations: 
Central Michigan University, Mount Pleasant, MI, United States 
Area:
Molecular Magnetism, Density Functional Theory
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"Juan Peralta"
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Parents

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Ruben Contreras grad student 1997-2002 University of Buenos Aires, Faculty of Sciences
Gustavo E. Scuseria post-doc 2002-2007 Central Michigan University

Children

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Rajendra R. Joshi grad student Central Michigan University
Jordan Phillips grad student Central Michigan University

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BETA: Related publications

Publications

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Alcoba DR, Lain L, Torre A, et al. (2024) Generalized Spin in the Variance-Based Wave Function Optimization Method within the Doubly Occupied Configuration Interaction Framework. The Journal of Physical Chemistry. A
Peralta JE, Barone V, Melo JI, et al. (2024) DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction. The Journal of Physical Chemistry. A
Oña OB, Massaccesi GE, Melo JI, et al. (2023) Generalized spin σ-SCF method. The Journal of Chemical Physics. 159
Fitzhugh HC, Furness JW, Pederson MR, et al. (2023) Comparative Density Functional Theory Study of Magnetic Exchange Couplings in Dinuclear Transition-Metal Complexes. Journal of Chemical Theory and Computation
Aebersold LE, Hale AR, Christou G, et al. (2022) Validation of the Green's Function Approximation for the Calculation of Magnetic Exchange Couplings. The Journal of Physical Chemistry. A. 126: 6790-6800
Mishra P, Yamamoto Y, Chang PH, et al. (2022) Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods. The Journal of Physical Chemistry. A
Akter S, Vargas JA, Sharkas K, et al. (2021) How well do self-interaction corrections repair the overestimation of static polarizabilities in density functional calculations? Physical Chemistry Chemical Physics : Pccp. 23: 18678-18685
Bhattarai P, Wagle K, Shahi C, et al. (2020) A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation. The Journal of Chemical Physics. 152: 214109
Sharkas K, Wagle K, Santra B, et al. (2020) Self-interaction error overbinds water clusters but cancels in structural energy differences. Proceedings of the National Academy of Sciences of the United States of America
Oña OB, Alcoba DR, Massaccesi GE, et al. (2020) Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms Polyhedron. 176: 114257
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