Entries of van Setten, M. J. on the publication server

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.

Dasgupta, A., Bera, S., Evers, Ferdinand and van Setten, M. J. (2012) Quantum size effects in the atomistic structure of armchair nanoribbons. Physical Review B 85 (12), p. 125433. Fulltext not available.