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Add def2-mSVP basis set for PBEh-3c and HSE-3c #322

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awvwgk opened this issue Nov 10, 2024 · 0 comments
Open

Add def2-mSVP basis set for PBEh-3c and HSE-3c #322

awvwgk opened this issue Nov 10, 2024 · 0 comments

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@awvwgk
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awvwgk commented Nov 10, 2024

  • Brandenburg, Jan Gerit, Eike Caldeweyher, and Stefan Grimme. "Screened exchange hybrid density functional for accurate and efficient structures and interaction energies." Phy. Chem. Chem. Phys. 18.23 (2016): 15519-15523. DOI: 10.1039/C6CP01697A
  • Grimme, Stefan, Jan Gerit Brandenburg, Christoph Bannwarth, and Andreas Hansen. "Consistent structures and interactions by density functional theory with small atomic orbital basis sets." J. Chem. Phys 143.5 (2015). DOI: 10.1063/1.4927476
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