Electronic structure theory of noncovalent systems

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Team leader: prof. dr hab. Grzegorz Chałasiński

Team leader’s e-mail address: chalbie@chem.uw.edu.pl

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Brief description of the research topic:

Our research group develops novel electronic structure methods for ground- and excited- state molecular systems bound with noncovalent interactions. We are interested in wave function approaches for single- multi-reference problems as well as efficient hybrid methods that combine multiple levels of theory in periodic systems. Specifically, we developed new density functional approximations, open-shell and multireference variants of symmetry-adapted perturbation theory (SAPT), and coupled-cluster-based extensions of random phase approximation models for molecular crystals.