GW100: Benchmarking G0W0 for Molecular Systems

Michiel J. van Setten, Fabio Caruso, S. Sharifzadeh, Xinguo Ren, Matthias Scheffler, Fang Liu, J. Lischner, Lin Lin, J.R. Deslippe, S.G. Louie, Chao Yang, F. Weigend, J.B. Neaton, F. Evers, Patrick Rinke

Research output: Contribution to journalArticleScientificpeer-review

120 Citations (Scopus)
Original languageEnglish
Pages (from-to)5665-5687
JournalJournal of Chemical Theory and Computation
Volume11
DOIs
Publication statusPublished - 2015
MoE publication typeA1 Journal article-refereed

Keywords

  • benchmark set
  • excited states
  • GW method
  • molecules
  • quantum chemistry

Cite this

van Setten, M. J., Caruso, F., Sharifzadeh, S., Ren, X., Scheffler, M., Liu, F., Lischner, J., Lin, L., Deslippe, J. R., Louie, S. G., Yang, C., Weigend, F., Neaton, J. B., Evers, F., & Rinke, P. (2015). GW100: Benchmarking G0W0 for Molecular Systems. Journal of Chemical Theory and Computation, 11, 5665-5687. https://doi.org/10.1021/acs.jctc.5b00453