Non-adiabatic couplings by time-dependent density functional theory

This publication has 27 references indexed in Scilit:

• Theoretical investigation of Ã2Σg+–X2Πu vibronic-coupling and ultrafast internal-conversion dynamics in the acetylene cation
  Chemical Physics, 2001
• Accurate first-derivative nonadiabatic couplings for the H3 system
  The Journal of Chemical Physics, 2001
• Reactive Scattering Dynamics on Conically Intersecting Potential Energy Surfaces: The H + H₂ Exchange Reaction
  The Journal of Physical Chemistry A, 2001
• Calculation of the Raman Spectrum of Photodissociating H₂S around 195 nm
  The Journal of Physical Chemistry A, 2001
• The geometric phase effect in chemical reactions
  Chemical Physics, 2000
• Photodynamics of ethylene: ab initio studies of conical intersections
  Chemical Physics, 2000
• Topological effects due to conical intersections: A model study of two interacting conical intersections
  The Journal of Chemical Physics, 1999
• Quantum Wave Packet Study of Nonadiabatic Effects in O(¹D) + H₂ → OH + H
  The Journal of Physical Chemistry A, 1999
• On the geometric phase effect on tetra-atomic reactions: the OH+H2→H2O+H reaction
  Chemical Physics Letters, 1998
• A study of conical intersection effects on scattering processes: The validity of adiabatic single-surface approximations within a quasi-Jahn–Teller model
  The Journal of Chemical Physics, 1996