6 citations · 7 across the 3 of their papers we have counts for
3 papers
The role of spin polarization and dynamic correlation in singlet-triplet gap inversion of heptazine derivatives
Daria Drwal, Mikulas Matousek, Pavlo Golub +5
The new generation of proposed light-emitting molecules for OLEDs has raised a considerable research interest due to its exceptional feature-a negative singlet-triplet (ST) gap vio…
F-12 density matrices and cumulants from the explicitly connected coupled-cluster theory
Aleksandra M. Tucholska, Marcin Modrzejewski, Robert Moszynski
We present the expansion to the expectation value coupled cluster theory (XCC) to the wavefunctions that include the inter electronic distances explicitly. We have extende…
Transition moments between excited electronic states from the Hermitian formulation of the coupled cluster quadratic response function
Aleksandra Tucholska, Michal Lesiuk, Robert Moszynski
We introduce a new method for the computation of the transition moments between the excited electronic states based on the expectation value formalism of the coupled cluster theory…