Publications of F. Wagner

Dohmen, R.; Pichlmeier, J.; Petersen, M.; Wagner, F.; Scheffler, M.: Parallel FP-LAPW for distributed-memory machines. Computing in Science & Engineering 3 (4), pp. 18 - 29 (2001)

Feibelman, P. J.; Hammer, B.; Norskov, J. K.; Wagner, F.; Scheffler, M.; Stumpf, R.; Watwe, R.; Dumesic, J.: The CO/Pt(111) puzzle. The Journal of Physical Chemistry B 105 (18), pp. 4018 - 4025 (2001)

Petersen, M.; Wagner, F.; Hufnagel, L.; Scheffler, M.; Blaha, P.; Schwarz, K.: Improving the efficiency of FP-LAPW calculations. Computer Physics Communications 126 (3), pp. 294 - 309 (2000)

Chakrabarti, A.; Hermann, K.; Druzinic, R.; Witko, M.; Wagner, F.; Petersen, M.: Geometric and electronic structure of vanadium pentoxide: A density functional bulk and surface study. Physical Review B 59 (16), pp. 10583 - 10590 (1999)

Wagner, F.; Laloyaux, T.; Scheffler, M.: Errors in Hellmann-Feynman forces due to occupation-number broadening and how they can be corrected. Physical Review B 57 (4), pp. 2102 - 2107 (1998)

Wang, X.-G.; Weiss, W.; Shaikhutdinov, S. K.; Ritter, M.; Petersen, M.; Wagner, F.; Schlögl, R.; Scheffler, M.: The Hematite (α-Fe₂O₃) (0001) Surface: Evidence for Domains of Distinct Chemistry. Physical Review Letters 81 (5), pp. 1038 - 1041 (1998)

Wagner, F.: Dynamik zweiatomiger Moleküle und ihre Adsorption auf Silber. Diploma, TU, Berlin (1995)