Use of exchange maximization to generate starting vectors for self-consistent field calculations on metal cluster/adsorbate systems. - Robert J. Buenker; J. L. Whitten; E. I. Izgorodina; Heinz-Peter Liebermann; Daria B. Kokh (J. Comput. Chem., 2002)

Ab initio study of the positronation of the CaO and SrO molecules including calculation of annihilation rates. - Robert J. Buenker; Heinz-Peter Liebermann (J. Comput. Chem., 2012)

Complex configuration interaction calculations of the cross section for the dissociative electron attachment process e- + F2 → F. - Michael Honigmann; Robert J. Buenker; Heinz-Peter Liebermann (J. Comput. Chem., 2012)

Adjustment of born-oppenheimer electronic wave functions to simplify close coupling calculations. - Robert J. Buenker; Heinz-Peter Liebermann; Yu Zhang; Yong Wu; Lingling Yan; Chunhua Liu; Yizhi Qu; Jianguo Wang (J. Comput. Chem., 2013)