Excited-State Properties and Dynamics

  • Dmitrij Rappoport
  • Jürg Hutter
Part of the Lecture Notes in Physics book series (LNP, volume 837)


Structures and dynamics of electronically excited states of molecules play a central role in our understanding and modeling of molecular photophysics and photochemistry. Given the enormous success of density functional based methods for molecular ground-state properties, it is desirable to have methods at our disposal for computing excited-state forces and other first-order properties in the framework of DFT.


Charge Transfer State Vertical Excitation Energy Configuration Interaction Single Global Hybrid Adiabatic Potential Energy Surface 
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Copyright information

© Springer-Verlag Berlin Heidelberg  2012

Authors and Affiliations

  • Dmitrij Rappoport
    • 1
  • Jürg Hutter
    • 2
  1. 1.Department of Chemistry and Chemical BiologyHarvard UniversityCambridgeUSA
  2. 2.Institute of Physical ChemistryUniversity of ZurichZurichSwitzerland

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