Publications of Ralf Gehrke

Blum, V.; Gehrke, R.; Hanke, F.; Havu, P.; Havu, V.; Ren, X.; Reuter, K.; Scheffler, M.: Ab initio molecular simulations with numeric atom-centered orbitals. Computer Physics Communications 180, pp. 2175 - 2196 (2009)

Gehrke, R.; Reuter, K.: Assessing the efficiency of first-principles basin-hopping sampling. Physical Review B 79 (8), pp. 085412-1 - 085412-10 (2009)

Gehrke, R.; Gruene, P.; Fielicke, A.; Meijer, G.; Reuter, K.: Nature of Ar bonding to small Co⁺_n clusters and its effect on the structure determination by far-infrared absorption spectroscopy. Journal of Chemical Physics 130 (3), 034306 (2009)

Gehrke, R.: First-principles basin-hopping for the structure determination of atomic clusters. Dissertation, Freie Universität, Berlin (2009)