About: Vibrational and dissociation dynamics of molecular systems in electronic continuum     Goto   Sponge   NotDistinct   Permalink

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Description
  • In this project we will generalize current methods used for theoretical description of vibrational dynamics of molecules in electron-molecule collisions and in current conduction through metal-molecule-metal junctions. We are especially interested in construction of accurate models from the first principles and in inclussion of several vibrational degrees of freedom with anharmonic potential and possibly with dissociation channels. (en)
  • V tomto projektu navrhujeme zobecnit metody v současné době používané pro popis vibrační dynamiky molekul při srážkách elektronů a molekul a při průchodu proudu moleklárními můstky. Zvláštní důraz klademe na konstrukci přesných modelů konkrétních systémů z prvních principů a na zahrnutí několika vibračních stupňů volnosti s anharmonickými potenciály a s možností disociace. (cs)
Title
  • Vibrační a disociační dynamika molekulárních systémů v elektronovém kontinuu (cs)
  • Vibrational and dissociation dynamics of molecular systems in electronic continuum (en)
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  • electron collisions; resonance dynamics; molecular electronics (en)
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