If you use this dataset please add this citation to your publication:
Kylanpaa, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T., "Dataset for Accuracy of ab initio electron correlation and electron densities in vanadium dioxide," 2017, http://dx.doi.org/doi:10.18126/M2NS7Q
Title: Dataset for Accuracy of ab initio electron correlation and electron densities in vanadium dioxide
Authors: Kylanpaa, Ilkka
Balachandran, Janakiraman
Ganesh, Panchapakesan
Heinonen, Olle
Kent, Paul R. C.
Krogel, Jaron T.
Keywords: QMCPACK
Monte Carlo
Diffusion Monte Carlo
DMC
Variational Monte Carlo
VMC
Quantum Monte Carlo
Vanadium dioxide
Electron density
Issue Date: 3-Nov-2017
Publisher: Oak Ridge National Laboratory, Oak Ridge, TN
URI: http://dx.doi.org/doi:10.18126/M2NS7Q
Appears in Collections:MDF Open



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