Communication: The description of strong correlation within self-consistent Green's function second-order perturbation theory JJ Phillips, D Zgid The Journal of chemical physics 140 (24), 241101, 2014 | 124 | 2014 |
Basis set dependence of atomic spin populations JJ Philips, MA Hudspeth, PM Browne, JE Peralta Chemical Physics Letters 495 (1), 146-150, 2010 | 73 | 2010 |
Efficient temperature-dependent Green’s functions methods for realistic systems: Compact grids for orthogonal polynomial transforms AA Kananenka, JJ Phillips, D Zgid Journal of chemical theory and computation 12 (2), 564-571, 2016 | 50 | 2016 |
Fractional charge and spin errors in self-consistent Green’s function theory JJ Phillips, AA Kananenka, D Zgid The Journal of chemical physics 142 (19), 194108, 2015 | 49 | 2015 |
The role of range-separated Hartree–Fock exchange in the calculation of magnetic exchange couplings in transition metal complexes JJ Phillips, JE Peralta The Journal of chemical physics 134 (3), 034108, 2011 | 47 | 2011 |
Local Hamiltonians for quantitative Green's function embedding methods AA Rusakov, JJ Phillips, D Zgid The Journal of chemical physics 141 (19), 194105, 2014 | 45 | 2014 |
Magnetic Exchange Couplings from Semilocal Functionals Evaluated Nonself-Consistently on Hybrid Densities: Insights on Relative Importance of Exchange, Correlation, and … JJ Phillips, JE Peralta Journal of chemical theory and computation 8 (9), 3147-3158, 2012 | 43 | 2012 |
Towards the blackbox computation of magnetic exchange coupling parameters in polynuclear transition-metal complexes: Theory, implementation, and application JJ Phillips, JE Peralta The Journal of chemical physics 138 (17), 174115, 2013 | 36 | 2013 |
Accuracy of density functional theory methods for the calculation of magnetic exchange couplings in binuclear iron (III) complexes RP Joshi, JJ Phillips, KJ Mitchell, G Christou, KA Jackson, JE Peralta Polyhedron 176, 114194, 2020 | 21 | 2020 |
Magnetic exchange couplings from constrained density functional theory: An efficient approach utilizing analytic derivatives JJ Phillips, JE Peralta The Journal of chemical physics 135 (18), 184108, 2011 | 20 | 2011 |
Structural dependence of magnetic exchange coupling parameters in transition-metal complexes JI Melo, JJ Phillips, JE Peralta Chemical Physics Letters 557, 110-113, 2013 | 19 | 2013 |
Magnetic exchange couplings evaluated with Rung 3.5 density functionals JJ Phillips, JE Peralta, BG Janesko The Journal of chemical physics 134 (21), 214101, 2011 | 18 | 2011 |
Magnetic Exchange Couplings in Heterodinuclear Complexes Based on Differential Local Spin Rotations RP Joshi, JJ Phillips, JE Peralta Journal of chemical theory and computation 12 (4), 1728-1734, 2016 | 17 | 2016 |
Magnetic exchange couplings from noncollinear perturbation theory: dinuclear CuII complexes JJ Phillips, JE Peralta The Journal of Physical Chemistry A 118 (31), 5841-5847, 2014 | 16 | 2014 |
Magnetic Couplings in Spin Frustrated Fe7III Disklike Clusters JJ Phillips, JE Peralta, G Christou Journal of Chemical Theory and Computation 9 (12), 5585-5589, 2013 | 16 | 2013 |