Entries of Weigend, F. on the publication server

Wilson, R. J., Hastreiter, Florian, Reiter, K., Büschelberger, Philipp, Wolf, Robert , Gschwind, Ruth M. , Weigend, F. and Dehnen, S. (2018) [Co@Sn6 Sb6 ]3− : An Off-Center Endohedral 12-Vertex Cluster. Angewandte Chemie International Edition 57 (47), pp. 15359-15363. Fulltext not available.

Kaplan, F., Harding, M. E., Seiler, C., Weigend, F., Evers, Ferdinand and van Setten, M. J. (2016) Quasi-Particle Self-Consistent GW for Molecules. Journal of Chemical Theory and Computation 12 (6), pp. 2528-2541. Fulltext not available.

Kaplan, F., Harding, M. E. , Seiler, C., Weigend, F. , Evers, F. and van Setten, M. J. (2016) Quasi-Particle Self-Consistent GW for Molecules. Journal of Chemical Theory and Computation 12 (6), pp. 2528-2541. Fulltext not available.

Kaplan, F., Weigend, F. , Evers, Ferdinand and van Setten, M. J. (2015) Off-Diagonal Self-Energy Terms and Partially Self-Consistency in GW Calculations for Single Molecules: Efficient Implementation and Quantitative Effects on Ionization Potentials. Journal of Chemical Theory and Computation 11 (11), pp. 5152-5160. Fulltext not available.

van Setten, M. J. , Caruso, F. , Sharifzadeh, S. , Ren, X., Scheffler, M., Liu, F., Lischner, J. , Lin, L., Deslippe, J. R., Louie, S., Yang, C., Weigend, F. , Neaton, J. B. , Evers, F. and Rinke, P. (2015) GW 100: Benchmarking G0W0 for molecular systems. Journal of Chemical Theory and Computation 11 (12), pp. 5665-5687.

van Setten, M. J., Weigend, F. and Evers, Ferdinand (2013) The GW-Method for Quantum Chemistry Applications: Theory and Implementation. Journal of Chemical Theory and Computation 9 (1), pp. 232-246. Fulltext not available.

Arnold, A., Weigend, F. and Evers, Ferdinand (2007) Quantum chemistry calculations for molecules coupled to reservoirs: Formalism, implementation, and application to benzenedithiol. The Journal of Chemical Physics 126 (17), p. 174101.

Elbing, M., Ochs, R., Koentopp, M., Fischer, M., von Hanisch, C., Weigend, F., Evers, Ferdinand , Weber, H. B. and Mayor, M. (2005) A single-molecule diode. Proceedings of the National Academy of Sciences 102 (25), pp. 8815-8820. Fulltext not available.

Evers, Ferdinand , Weigend, F. and Koentopp, M. (2004) Conductance of molecular wires and transport calculations based on density-functional theory. Physical Review B 69 (23), p. 235411.

Evers, Ferdinand , Weigend, F. and Koentopp, M. (2003) Coherent transport through a molecular wire: DFT calculation. Physica E: Low-dimensional Systems and Nanostructures 18 (1-3), pp. 255-257. Fulltext not available.