Benchmark of GW methods for azabenzenes

نویسندگان

  • Noa Marom
  • Fabio Caruso
  • Xinguo Ren
  • Oliver T. Hofmann
  • Thomas Körzdörfer
  • James R. Chelikowsky
  • Angel Rubio
  • Matthias Scheffler
  • Patrick Rinke
چکیده

Noa Marom,1 Fabio Caruso,2 Xinguo Ren,2 Oliver T. Hofmann,2 Thomas Körzdörfer,3 James R. Chelikowsky,1 Angel Rubio,2,4 Matthias Scheffler,2 and Patrick Rinke2 1Center for Computational Materials, Institute for Computational Engineering and Sciences, The University of Texas at Austin, Austin, Texas 78712, USA 2Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195, Berlin, Germany 3Computational Chemistry, University of Potsdam, 14476 Potsdam, Germany 4Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Universidad del Paı́s Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, Avenida Tolosa 72, E-20018 Donostia, Spain (Received 25 September 2012; published 26 December 2012)

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تاریخ انتشار 2012