Neese, Frank Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;
Neese, F., Wolf, A., Fleig, T., Reiher, M., & Hess, B. A. (2005). Calculation of electric-field gradients based on higher-order generalized Douglas–Kroll transformations. The Journal of Chemical Physics, 122(20):. doi:10.1063/1.1904589.