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

Downloads

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, Int. J. Quantum Chem. 2022, DOI: 10.1002/qua.27045 in case you use recursiveCC.

 

 

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