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An Orthogonalization-Free Parallelizable Framework for All-Electron Calculations in Density Functional Theory.
Bin Gao
Guanghui Hu
Yang Kuang
Xin Liu
Published in:
SIAM J. Sci. Comput. (2022)
Keyphrases
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theoretical framework
main contribution
conceptual framework
general theory
data sets
computational model
theoretical foundation
social networks
lightweight