PUB - Publikationen an der Universität Bielefeld

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• [3]
  

  2012 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2489342

  Hammer T, Manthe U (2012)
  Iterative diagonalization in the state-averaged multi-configurational time-dependent Hartree approach: Excited state tunneling splittings in malonaldehyde.
  The Journal of Chemical Physics 136(5): 54105.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [2]
  

  2011 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 2289406

  Hammer T, Manthe U (2011)
  Intramolecular proton transfer in malonaldehyde: Accurate multilayer multi-configurational time-dependent Hartree calculations.
  The Journal of Chemical Physics 134(22): 224305.

  PUB | DOI | WoS | PubMed | Europe PMC
   
• [1]
  

  2009 | Zeitschriftenaufsatz | Veröffentlicht | PUB-ID: 1896994

  Hammer T, Coutinho-Neto MD, Viel A, Manthe U (2009)
  Multiconfigurational time-dependent Hartree calculations for tunneling splittings of vibrational states: Theoretical considerations and application to malonaldehyde.
  JOURNAL OF CHEMICAL PHYSICS 131(22): 224109.

  PUB | DOI | WoS | PubMed | Europe PMC