251 citations · 1.5k across the 51 of their papers we have counts for
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Systematic reduction of sign errors in many-body calculations of atoms and molecules
Michal Bajdich, Murilo L. Tiago, Randolph Q. Hood +2
The self-healing diffusion Monte Carlo algorithm (SHDMC) [Phys. Rev. B {\bf 79}, 195117 (2009), {\it ibid.} {\bf 80}, 125110 (2009)] is shown to be an accurate and robust method fo…
Real-time dynamics of particle-hole excitations in Mott insulator-metal junctions
Luis G. G. V. Dias da Silva, Khaled A. Al-Hassanieh, Adrian E. Feiguin +2
Charge excitations in Mott insulators (MIs) are distinct from their band-insulator counterparts and they can provide a mechanism for energy harvesting in solar cells based on stron…
Systematic reduction of sign errors in many-body problems: generalization of self-healing diffusion Monte Carlo to excited states
Fernando A. Reboredo
A recently developed self-healing diffusion Monte Carlo algorithm [PRB 79, 195117] is extended to the calculation of excited states. The formalism is based on an excited-state fixe…
Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules
Luis G. G. V. Dias da Silva, Murilo L. Tiago, Sergio E. Ulloa +2
We use a combination of first principles many-body methods and the numerical renormalization-group technique to study the Kondo regime of cobalt-porphyrin compounds adsorbed on a C…
Controlling the gap of fullerene microcrystals by applying pressure: the role of many-body effects
Murilo L. Tiago, Fernando A. Reboredo
We studied theoretically the optical properties of C fullerene microcrystals as a function of hydrostatic pressure with first-principles many-body theories. Calculations of…