Humboldt-Universität zu Berlin - Faculty of Mathematics and Natural Sciences - Theoretical Chemistry


The following Software that has been developed in our group is available free of charge and can be downloaded here.

  • recursiveCC: This code allows for the efficient evaluation of one-electron coupling coefficients and spin densities between spin-adapted configuration state functions. Please cite M. Ugandi, M. Roemelt, Authorea 2022, DOI: 10.22541/au.164873477.73577108/v1 in case you use recursiveCC.



At a later point we will also make the MOLBLOCK code available here.