Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework

S.V. Levchenko, X. Ren, J. Wieferink, R. Johanni, P. Rinke, V. Blum, M. Scheffler

Research output: Contribution to journalArticleScientificpeer-review

Original languageEnglish
Pages (from-to)60-69
JournalMicrofluidics and Nanofluidics
Issue numberJuly 2015
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed


  • all-electron
  • density-functional theory
  • exact exchange
  • Hartree-Fock approximation
  • hybrid functionals
  • linear scaling
  • numeric atomic orbitals

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