39 citations · 39 across the 1 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2017
Diffusion quantum Monte Carlo calculations of SrFeO and LaFeO
Juan A. Santana, Jaron T. Krogel, Paul R. C. Kent +1
The equations of state, formation energy and migration energy barrier of the oxygen vacancy in SrFeO and LaFeO were calculated with the diffusion quantum Monte Carlo (D…
cond-mat.mtrl-sci2016★ 39 cited
Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion quantum Monte Carlo
Juan A. Santana, Jaron T. Krogel, Paul R. C. Kent +1
We have applied the diffusion quantum Monte Carlo (DMC) method to calculate the cohesive energy and the structural parameters of the binary oxides CaO, SrO, BaO, Sc2O3, Y2O3 and La…