EOMCC Optimization

  • Geometry optimizations with the high accuracy EOM-CCSD method (analytic gradients).
  • EOM-CCSD Solvation interaction models of Caricato.
  • Excited state methods and properties received a lot of attention as we developed Gaussian 16. Analytic EOM-CCSD gradients let you optimize the structures of molecules that require a high accuracy excited state treatment.