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Welcome to Volker Staemmler's Group

Volker Staemmler
Professor (C2), retired
Tel. ++49-234-32-26752
email: staemm@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

* Spectroscopic properties of small molecules
* Magnetic exchange coupling in transition metal complexes
* X-ray emission and absorption spectra of molecules and solids
* Adsorption of small molecules on oxide surfaces

In theses fields we are
  1. developping 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.
* curriculum vitae
* list of publications


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