ORCA 4.0 with new Features

ORCA 4.0: There is a new version of ORCA

Today the new ORCA version 4.0 has been released.

The new version comes with several new features like 'Linear scaling DLPNO-NEVPT2' and 'Magnetization and magnetic susceptibility'. Detailled information can be found in the ORCA-Forum.

Our software-program ORCA, developed at the MPI CEC under the direction of Prof. Neese, is a flexible, efficient and easy-to-use general-purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. To learn more about the program please click here.