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Dataset for Accuracy of ab initio electron correlation and electron densities in vanadium dioxide

Kylanpaa, Ilkka; Balachandran, Janakiraman; Ganesh, Panchapakesan; Heinonen, Olle; Kent, Paul R. C.; Krogel, Jaron T.
DOI: 10.18126/M2NS7Q
Year: 2017

Dateset for "Auxiliary-field quantum Monte Carlo calculations of the structural properties of nickel oxide"

Zhang, Shuai; Malone, Fionn D.; Morales, Miguel A.
DOI: 10.18126/M2WS88
Year: 2018

Dataset for Variational Excitations in Real Solids: Optical Gaps and Insights into Many-Body Perturbation Theory

Zhao, Luning; Neuscamman, Eric
Organizations: CPSFM
DOI: 10.18126/1QJG8XUOESBLA
Year: 2019

Dataset for A Variational Approach to Optical Band Gaps

Zhao, Luning; Neuscamman, Eric
Organizations: CPSFM
DOI: 10.18126/M2K63Q
Year: 2018

Size consistent excited states via algorithmic transformations between variational principles

Shea, Jacqueline A. R.; Neuscamman, Eric
Organizations: CPSFM
DOI: 10.18126/M2J63D
Year: 2017

Dataset for An efficient hybrid orbital representation for quantum Monte Carlo calculations

Luo, Ye; Esler, Kenneth P.; Kent, Paul R. C.; Shulenburger, Luke
Organizations: CPSFM
DOI: 10.18126/M2S64Z
Year: 2018

Dataset for Nature of Interlayer Binding and Stacking of sp–sp2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

Shin, Hyeondeok; Kim, Jeongnim; Lee, Hoonkyung; Heinonen, Olle; Benali, Anouar; Kwon, Yongkyung
Organizations: CPSFM
DOI: 10.18126/M2NK9D
Year: 2017

Dataset for Electronic properties of doped and defective NiO -- a Quantum Monte Carlo study

Shin, Hyeondeok; Luo, Ye; Ganesh, Panchapakesan; Balachandran, Janakiraman; Krogel, Jaron T.; Kent, Paul R. C.; Benali, Anouar; Heinonen, Olle
Organizations: CPSFM
DOI: 10.18126/M2HW64
Year: 2017

Dataset for Delayed Slater determinant update algorithms for high efficiency quantum Monte Carlo

McDaniel, Tyler; D'Azevedo, Ed F.; Li, Ying Wai; Wong, Kwai; Kent, Paul R. C.
Organizations: CPSFM
DOI: 10.18126/M24328
Year: 2017

Dataset for Zirconia and hafnia polymorphs -- ground state structural properties from diffusion Monte Carlo

Shin, Hyeondeok; Benali, Anouar; Luo, Ye; Crabb, Emily; Lopez-Bezanilla, Alejandro; Ratcliff, Laura E.; Jokisaari, Andrea M.; Heinonen, Olle
Organizations: CPSFM
DOI: 10.18126/M2D635
Year: 2018