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The Journal of Chemical Physics|November 18, 2011
Magnetic exchange couplings from constrained density functional theory: an efficient approach utilizing analytic derivativesJordan J Phillips, Juan E PeraltaThe Journal of Chemical Physics|May 10, 2013
Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: theory, implementation, and applicationJordan J Phillips, Juan E PeraltaThe Journal of Chemical Physics|January 26, 2011
The role of range-separated Hartree-Fock exchange in the calculation of magnetic exchange couplings in transition metal complexesJordan J Phillips, Juan E PeraltaThe Journal of Physical Chemistry. A|February 21, 2014
Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexesJordan J Phillips, Juan E PeraltaJournal of Chemical Theory and Computation|November 26, 2015
Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and DelocalizationJordan J Phillips, Juan E PeraltaThe Journal of Chemical Physics|June 14, 2011
Magnetic exchange couplings evaluated with Rung 3.5 density functionalsJordan J Phillips, Juan E Peralta, Benjamin G JaneskoJournal of Chemical Theory and Computation|March 9, 2016
Magnetic Exchange Couplings in Heterodinuclear Complexes Based on Differential Local Spin RotationsRajendra P Joshi, Jordan J Phillips, Juan E PeraltaThe Journal of Chemical Physics|November 26, 2008
Magnetic exchange couplings from noncollinear spin density functional perturbation theoryJuan E Peralta, Veronica BaroneThe Journal of Chemical Physics|June 1, 2026
Controlling ⟨Ŝ2⟩ in broken-symmetry density functional theory calculations via constrained optimizationJerónimo Lira, Juan E PeraltaNano Letters|July 16, 2008
Magnetic boron nitride nanoribbons with tunable electronic propertiesVeronica Barone, Juan E PeraltaPageof 8