290 citations · 1.1k across the 48 of their papers we have counts for
3 papers · 1 filter
Energy density matrix formalism for interacting quantum systems: a quantum Monte Carlo study
Jaron T. Krogel, Jeongnim Kim, Fernando A. Reboredo
We develop an energy density matrix that parallels the one-body reduced density matrix (1RDM) for many-body quantum systems. Just as the density matrix gives access to the number d…
Structural Stability and Defect Energetics of ZnO from Diffusion Quantum Monte Carlo
Juan A. Santana, Jaron T. Krogel, Jeongnim Kim +2
We have applied the many-body ab-initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure, and the energetics of the oxygen vacancy, zinc inter…
Ab initio quantum Monte Carlo calculations of spin superexchange in cuprates: the benchmarking case of CaCuO
Kateryna Foyevtsova, Jaron T. Krogel, Jeongnim Kim +3
In view of the continuous theoretical efforts aimed at an accurate microscopic description of the strongly correlated transition metal oxides and related materials, we show that wi…