Untersuchung der Selektivität der Schwingungsenergieübertragung in vier-atomigen Systemen mit Hilfe des multiconfiguration time-dependent Hartree (MCTDH) Verfahrens

• Applicant: Professor Dr. Hans-Dieter Meyer
• Subject Area: Theoretical Chemistry: Electronic Structure, Dynamics, Simulation
• Term: from 2003 to 2012
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 5407744

• Final Report Year: 2011

Final Report Abstract

No abstract available

Publications

• Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration timedependent Hartree method. J. Chem. Phys. 129 (2008), 224109
  L. J. Doriol, F. Gatti, C. Iung, and H.-D. Meyer
  
• Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field. J. Chem. Phys. 129 (2008), 144304
  G. Pasin, C. Iung, F. Gatti, F. Richter, C. Léonard, and H.-D. Meyer
  
• Multidimensional Quantum Dynamics: MCTDH Theory and Applications. Wiley-VCH, Weinheim, 2009
  H.-D. Meyer, F. Gatti, and G. A. Worth
  
• Absorption cross section of ozone Isotopologues calculated with the multiconfiguration timedependent Hartree (MCTDH) method: I. The Hartley and Huggins bands. J. Phys. Chem. A 114 (2010), 9855–9863
  S. A. Ndengué, F. Gatti, R. Schinke, H.-D. Meyer, and R. Jost
  
• The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation. Chem. Phys. 377 (2010), 30 – 45
  B. Lasorne, M. A. Robb, H.-D. Meyer, and F. Gatti
  
• Quantum dynamics study of fulvene double bond photoisomerization: the role of intramolecular vibrational energy redistribution and excitation energy. J. Chem. Phys. 135 (2011), 134303
  L. Blancafort, F. Gatti, and H.-D. Meyer