Thiel, W. Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society; Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Steiger, R., Bischof, C. H., Lang, B., & Thiel, W. (2005). Using automatic differentiation to compute derivatives for a quantum-chemical computer program. Future Generation Computer Systems, 21(8), 1324-1332. doi:10.1016/j.future.2004.11.011.