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Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations.
J Chem Phys. 2020 May 21;152(19):194110. doi: 10.1063/5.0004792.
J Chem Phys. 2020.
PMID: 33687268
Affordable and accurate large-scale hybrid-functional calculations on GPU-accelerated supercomputers.
Ratcliff LE, Degomme A, Flores-Livas JA, Goedecker S, Genovese L.
Ratcliff LE, et al. Among authors: degomme a.
J Phys Condens Matter. 2018 Mar 7;30(9):095901. doi: 10.1088/1361-648X/aaa8c9.
J Phys Condens Matter. 2018.
PMID: 29345623
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