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Systematic Improvement of DMC Calculations in Transition Metal Oxides: sCI-Driven Wavefunction Optimization for Reliable Band Gaps
https://doi.org/10.18126/z20s-pg52
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Hyeondeok Shin
Kevin Gasperich
Tomas Rojas
Anh T. Ngo
Jaron T. Krogel
Anouar Benali
DOI registered
February 20, 2024
via DataCite
Content published 2024 in
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