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The role of electron correlations in the electronic structure of putative Chern magnet TbMn6Sn6 using correlated methods
Annaberdiyev, Abdulgani;
Mitas, Lubos;
Krogel, Jaron T.;
Ganesh, Panchapakesan
Electronic structure of alpha-RuCl3 by fixed-node and fixed-phase diffusion Monte Carlo methods
Annaberdiyev, Abdulgani;
Melton, Cody A.;
Wang, Guangming;
Mitas, Lubos
Dataset for "The binding of atomic hydrogen on graphene from density functional theory and diffusion Monte Carlo calculations"
Dumi, Amanda;
Upadhyay, Shiv;
Bernasconi, Leonardo;
Shin, Hyeondeok;
Benali, Anouar;
Jordan, Kenneth D.
Surrogate Hessian Accelerated Structural Optimization for Stochastic Electronic Structure Theories
Tiihonen, Juha;
Kent, Paul R. C.;
Krogel, Jaron T.
Dataset for "Assessing the accuracy of compound formation energies with quantum Monte Carlo"
Issacs, Eric B.;
Shin, Hyeondeok;
Annaberdiyev, Abdulgani;
Wolverton, Chris;
Mitas, Lubos;
Benali, Anouar;
Heinonen, Olle
Dataset for "Optimized structure and electronic band gap of monolayer GeSe from quantum Monte Carlo methods"
Shin, Hyeondeok;
Krogel, Jaron T.;
Gasperich, Kevin;
Kent, Paul R. C.;
Benali, Anouar;
Heinonen, Olle
Data for "Systematic Comparison and Cross-validation of Fixed-Node Diffusion Monte Carlo and Phaseless Auxiliary-Field Quantum Monte Carlo in Solids"
Malone, Fionn D.;
Benali, Anouar;
Morales, Miguel A.;
Caffarel, Michel;
Kent, Paul R. C.;
Shulenburger, Luke
Dataset for "Quantum Monte Carlo benchmarking of large noncovalent complexes in the L7 benchmark set"
Benali, Anouar;
Shin, Hyeondeok;
Heinonen, Olle
Dataset for "Many - body Electronic Structure of LaScO3 by Real Space Quantum Monte Carlo Methods"
Melton, Cody A.;
Mitas, Lubos
Dataset for A hybrid approach to excited-state-specific variational Monte Carlo and doubly excited states
Otis, Leon;
Craig, Isabel;
Neuscamman, Eric