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Jaron T. Krogel

Jaron Krogel

Research Staff

Contact

KROGELJT@ORNL.GOV

Publications

July 2017

Quantitative estimation of localization errors of 3 d transition metal pseudopotentials in…

Journal: The Journal of Chemical Physics

June 2017

Magnitude of pseudopotential localization errors in fixed node diffusion quantum Monte Carlo

Journal: The Journal of Chemical Physics

November 2016

Phase Stability of TiO2 Polymorphs from Diffusion Quantum Monte Carlo...

Journal: New Journal of Physics

June 2016

Quantum Monte Carlo analysis of a charge ordered insulating antiferromagnet: the Ti4O7 Magneli…

Journal: Physical Chemistry Chemical Physics

May 2016

Cohesive energy and structural parameters of binary oxides of groups IIA and IIIB from diffusion…

Journal: The Journal of Chemical Physics

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