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 <link https: orcaforum.cec.mpg.de external-link-new-window internal link in current>ORCA-Forum.

Our software-program ORCA, developed at the MPI CEC under the direction of <link internal-link internal link in current>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 <link internal-link internal link in current>here.