Rainer Steiger Christian H. Bischof Bruno Lang Walter Thiel Using automatic differentiation to compute derivatives for a quantum-chemical computer program. 1324-1332 2005 21 Future Generation Comp. Syst. 8 http://dx.doi.org/10.1016/j.future.2004.11.011 db/journals/fgcs/fgcs21.html#SteigerBLT05