Background and activities
Scientific, academic and artistic work
Displaying a selection of activities. See all publications in the database
- (2020) eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods. Journal of Chemical Physics. vol. 152 (18).
- (2020) Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States. Physical Review X. vol. 10 (4).
- (2020) Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations. Journal of Chemical Physics. vol. 153 (1).
- (2020) Biorthonormal Formalism for Nonadiabatic Coupled Cluster Dynamics. Journal of Chemical Theory and Computation. vol. 17 (1).
- (2019) Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges. Journal of Chemical Physics. vol. 151 (14).
- (2019) An efficient algorithm for Cholesky decomposition of electron repulsion integrals. Journal of Chemical Physics. vol. 150 (19).
- (2019) An Orbital Invariant Similarity Constrained Coupled Cluster Model. Journal of Chemical Theory and Computation. vol. 15 (10).
- (2017) Crossing conditions in coupled cluster theory. Journal of Chemical Physics. vol. 147 (16).
- (2017) Resolving the Notorious Case of Conical Intersections for Coupled Cluster Dynamics. The Journal of Physical Chemistry Letters. vol. 8 (19).
- (2016) Symmetric Coupled Cluster Theory. 2016.