Implementation und Auswertung der Varianz von Wellenfunktionen

• Applicant: Privatdozent Dr. Michael Hanrath
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2009 to 2011
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 144222034

• Final Report Year: 2012

Final Report Abstract

No abstract available

Publications

• „A fully simultaneously optimizing genetic approach to the highly excited coupled-cluster factorization problem", J. Chem. Phys. 134 (2011) 124106
  A. Engels-Putzka, M. Hanrath
  
• „Wavefunction quality of single- and multi-reference coupled-cluster and configuration interaction methods: The P4 and H8 model systems", Chem. Phys. 401 (2012) 157
  D. Pape, M. Hanrath
  (See online at https://doi.org/10.1016/j.chemphys.2011.10.029)