Implementation of a general multireference configuration interaction procedure with analytic gradients in a semiempirical context using the graphical unitary group approach. - Axel Koslowski; Michael E. Beck; Walter Thiel (J. Comput. Chem., 2003)

Big data analysis of ab Initio molecular integrals in the neglect of diatomic differential overlap approximation. - Xin Wu; Pavlo O. Dral; Axel Koslowski; Walter Thiel (J. Comput. Chem., 2019)