• Origin-independent two-photon circular dichroism calculations in coupled cluster theory 

      Friese, Daniel Henrik; Hättig, Christof; Rizzo, Antonio (Journal article; Tidsskriftartikkel; Peer reviewed, 2016-05-03)
      We present the first origin-independent approach for the treatment of two-photon circular dichroism (TPCD) using coupled cluster methods. The approach is assessed concerning its behavior on the choice of the basis set and different coupled cluster methods. We also provide a comparison of results from CC2 with those from density functional theory using the CAM-B3LYP functional. Concerning the basis ...