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Dataset for Electronic properties of doped and defective NiO -- a Quantum Monte Carlo study
Dataset for Electronic properties of doped and defective NiO -- a Quantum Monte Carlo study
2017
Hyeondeok Shin
Ye Luo
Panchapakesan Ganesh
Janakiraman Balachandran
Jaron T. Krogel
Paul R. C. Kent
Anouar Benali
Olle Heinonen
Keywords:
Computational chemistry
Monte Carlo method
Doping
Quantum Monte Carlo
Diffusion Monte Carlo
Chemistry
Variational Monte Carlo
Non-blocking I/O
Materials science
Condensed matter physics
Nickel oxide
electronic properties
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