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Jordan J. Phillips
Jordan J. Phillips
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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
1202014
Basis set dependence of atomic spin populations
JJ Philips, MA Hudspeth, PM Browne, JE Peralta
Chemical Physics Letters 495 (1), 146-150, 2010
732010
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
492016
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
492015
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
472011
Local Hamiltonians for quantitative Green's function embedding methods
AA Rusakov, JJ Phillips, D Zgid
The Journal of chemical physics 141 (19), 194105, 2014
442014
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
432012
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
362013
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
202020
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
202011
Structural dependence of magnetic exchange coupling parameters in transition-metal complexes
JI Melo, JJ Phillips, JE Peralta
Chemical Physics Letters 557, 110-113, 2013
182013
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
182011
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
172016
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
162014
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
162013
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