Trygve Helgaker with a Journal of Chemical Physics featured article

Trygve Helgaker, together with co-workers from Karlsruhe Institute of Technology and University of Vienna, conducted a systematic study of ways in which the Bethe-Salpeter equation, widely used for calculating optical properties in solids, can be applied to computations of atomic and molecular correlation energies. They found that the coupled-cluster infinite-order screened exchange approach showed promise as an accurate and cost-effective approach for computing correlation energies within the adiabatic framework.

The collaborations for this study was initiated during the one year project Molecules in Extreme Environments at the Center for Advanced Study.

Published Oct. 23, 2018 11:28 AM - Last modified Oct. 23, 2018 11:28 AM