Federico Zahariev, Ph.D.
Affiliations: | 1997- | Chemistry Department | Iowa State University/Ames Lab (DOE) |
Area:
theoretical chemistryGoogle:
"Federico Zahariev"Mean distance: 9.57 | S | N | B | C | P |
Parents
Sign in to add mentor| Mel Levy | grad student | 2000 | Iowa State University/Ames Lab (DOE) | |
| (Approaches to excited -state density functional theory.) | ||||
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Publications
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| Barca GMJ, Bertoni C, Carrington L, et al. (2020) Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102 |
| Zahariev F, Gordon MS. (2019) Development of a combined quantum monte carlo-effective fragment molecular orbital method Molecular Physics. 117: 1532-1540 |
| Zahariev F, Gordon MS, Levy M. (2018) Nodal variational principle for excited states Physical Review A. 98 |
| Zahariev F, Levy M. (2016) Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies. The Journal of Physical Chemistry. A |
| Levy M, Zahariev F. (2016) On augmented Kohn–Sham potential for energy as a simple sum of orbital energies Molecular Physics. 1-3 |
| de Lima Batista AP, Zahariev F, Slowing II, et al. (2015) Silanol-Assisted Carbinolamine Formation in an Amine-Functionalized Mesoporous Silica Surface: Theoretical Investigation by Fragmentation Methods. The Journal of Physical Chemistry. B |
| Nakata H, Fedorov DG, Zahariev F, et al. (2015) Analytic second derivative of the energy for density functional theory based on the three-body fragment molecular orbital method. The Journal of Chemical Physics. 142: 124101 |
| Findlater AD, Zahariev F, Gordon MS. (2015) Combined fragment molecular orbital cluster in molecule approach to massively parallel electron correlation calculations for large systems. The Journal of Physical Chemistry. A. 119: 3587-93 |
| Brorsen KR, Zahariev F, Nakata H, et al. (2014) Analytic Gradient for Density Functional Theory Based on the Fragment Molecular Orbital Method. Journal of Chemical Theory and Computation. 10: 5297-307 |
| Xu P, Zahariev F, Gordon MS. (2014) The R(-7) Dispersion Interaction in the General Effective Fragment Potential Method. Journal of Chemical Theory and Computation. 10: 1576-87 |