Wortmarke der Ruhr-Universität Bochum

Center for Theoretical Chemistry



Welcome to Volker Staemmler's Group

Volker Staemmler
Professor (C2), retired
Tel. ++49-234-32-26752
email: volker.staemmler@theochem.ruhr-uni-bochum.de

 

Our scientific interest is focussed on the quantum chemical treatment of electronically excited states of small molecules and on properties of clean and adsorbate-covered solid surfaces. Specific subjects are
In theses fields we are
  1. developing and improving quantum chemical ab initio methods which allow for accurate calculations
  2. performing numerical applications to specific systems and problems

 

Over the years, a wavefunction based quantum chemical ab initio program package has been developed in our group which is used for numerical calculations at different levels of accuracy: SCF, ROHF, CAS-SCF, CAS-CI, SOC-CI, MR-CI, MC-CEPA. In particular, our MC-CEPA program, which is an approximate multi-reference coupled cluster program, is able to yield results of almost experimental accuracy, even for systems with a complex electronic structure.
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