Fernando A Reboredo Senior Research Staff Contact reboredofa@ornl.gov | 865.241.4325 All Publications Diffusion Quantum Monte Carlo study of the equation of state and point defects in aluminum... Simple Impurity Embedded in a Spherical Jellium: Approximations of Density Functional Theory compared to Quantum Monte Carlo... Quantum Monte Carlo Calculations of Dihydrogen Binding Energetics on Ca Cations: an Assessment of Errors in Density Functiona... Systematic reduction of sign errors in many-body calculations of atoms and molecules... Real-time dynamics of particle-hole excitations in Mott insulator-metal junctions... Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules.... Quasiparticle Gaps and Exciton Coulomb Energies in Si Nanoshells... Systematic reduction of sign errors in many-body problems: generalization of self-healing diffusion Monte Carlo to excited st... Self-healing diffusion quantum Monte Carlo algorithms: direct reduction of the fermion sign error in electronic structure cal... Controlling the gap of fullerene microcrystals by applying pressure: Role of many-body effects... Spin-Orbit Interaction and Jahn-Teller Transition in Bimetallic Oxalates... Inverse Jahn-Teller transition in bimetallic oxalates... Neutral and charged excitations in carbon fullerenes from first-principles many-body theories... Density-density functionals and effective potentials in many-body electronic structure calculations... Magnetic Compensation in the Bimetallic Oxalates... Excitons in the One-Dimensional Hubbard Model: a Real-Time Study... Excitons in the One-Dimensional Hubbard Model: A Real-Time Study... Magnetic Anisotropy in the Fe(II)Fe(III) Bimetallic Oxalates... Coercive Field of a Polycrystalline Ferrimagnet with Uni-Axial Anisotropy... Crystal-Field Splitting and Giant Negative Magnetization in... Perpendicular-to-Parallel Spin Reorientation in a Mn-Doped GaAs Quantum Canting or Phase Separation... A Single Layer of Mn in a GaAs Quantum Well: A Ferromagnet with Quantum Fluctuations... Hydrogen platelets in crystalline silicon - Precursors for the "smart cut"... Pagination First page « First Previous page ‹‹ Page 1 Page 2 Current page 3 Key Links ORCID Organizations Physical Sciences Directorate Materials Science and Technology Division Materials Theory, Modeling and Simulation Section Materials Theory Group