Now showing items 1-1 of 1

    • Incremental evaluation of coupled cluster dipole polarizabilities 

      Friedrich, Joachim; McAlexander, Harley R.; Kumar, Ashutosh; Crawford, T. Daniel (The Royal Society of Chemistry, 2014-12-16)
      In this work we present the first implementation of the incremental scheme for coupled cluster linear-response frequency-dependent dipole polarizabilities. The implementation is fully automated and makes use of the ...