On the Accuracy of Density Functionals and Theiro Basis Set Dependence: An Extensive Study on the Main Group Homonuclear Diatomic Molecules Li2 to Br2. - Roland H. Hertwig; Wolfram Koch (J. Comput. Chem., 1995)

Economical treatments of relativistic effects and electron correlation in WH6. - Roland H. Hertwig; Wolfram Koch; Brian F. Yates (J. Comput. Chem., 1998)