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Excited-State Properties and Dynamics

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

Abstract

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.

Keywords

Charge Transfer State Vertical Excitation Energy Configuration Interaction Single Global Hybrid Adiabatic Potential Energy Surface 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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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