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Theory Group - SFB 569
Computational Chemistry & Nanostructures

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Welcome to the theory group website
Written by Dr David M. Benoit   
This is the website of the theory group of the SFB 569 collaborative project.

Research Interests

Our main research activity is the development and application of high-performance computational techniques to understand dynamic and static properties of molecular interactions.

We focus on two main directions (see also related project descriptions):

  • The accurate description of molecular vibrations using a fast vibrational self-consistent field method
  • The descriptions of molecular interactions in extended structures using density-functional perturbation theory

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©2005 Theory Group - SFB 569
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