Publications of I. Theophilou

Theophilou, I.; Reinhard, T.; Rubio, A.; Ruggenthaler, M.: Approximations based on density-matrix embedding theory for density-functional theories. Electronic Structure 3 (3), 035001 (2021)

Theophilou, I.; Penz, M.; Ruggenthaler, M.; Rubio, A.: Virial Relations for Electrons Coupled to Quantum Field Modes. Journal of Chemical Theory and Computation 16 (10), pp. 6236 - 6243 (2020)

Buchholz, F.; Theophilou, I.; Giesbertz, K. J. H.; Ruggenthaler, M.; Rubio, A.: Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics. Journal of Chemical Theory and Computation 16 (9), pp. 5601 - 5620 (2020)

Tancogne-Dejean, N.; Oliveira, M. J. T.; Andrade, X.; Appel, H.; Borca, C. H.; Le Breton, G.; Buchholz, F.; Castro, A.; Corni, S.; Correa, A. A. et al.; de Giovannini, U.; Delgado, A.; Eich, F. G.; Flick, J.; Gil, G.; Gomez, A.; Helbig, N.; Hübener, H.; Jestädt, R.; Jornet-Somoza, J.; Larsen, A. H.; Lebedeva, I. V.; Lüders, M.; Marques, M. A. L.; Ohlmann, S. T.; Pipolo, S.; Rampp, M.; Rozzi, C. A.; Strubbe, D. A.; Sato, S.; Schäfer, C.; Theophilou, I.; Welden, A.; Rubio, A.: Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems. The Journal of Chemical Physics 152 (12), 124119 (2020)

Buchholz, F.; Theophilou, I.; Nielsen, S. E. B.; Ruggenthaler, M.; Rubio, A.: Reduced Density-Matrix Approach to Strong Matter-Photon Interaction. ACS Photonics 6 (11), pp. 2694 - 2711 (2019)

Tchenkoue Djouom, M.-L.; Penz, M.; Theophilou, I.; Ruggenthaler, M.; Rubio, A.: Force balance approach for advanced approximations in density functional theories. The Journal of Chemical Physics 151 (15), 154107 (2019)

Mordovina, U.; Reinhard, T.; Theophilou, I.; Appel, H.; Rubio, A.: Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations. Journal of Chemical Theory and Computation 15 (10), pp. 5209 - 5220 (2019)

Theophilou, I.; Buchholz, F.; Eich, F. G.; Ruggenthaler, M.; Rubio, A.: Kinetic-Energy Density-Functional Theory on a Lattice. Journal of Chemical Theory and Computation 14 (8), pp. 4072 - 4087 (2018)

Theophilou, I.; Lathiotakis, N. N.; Helbig, N.: Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study. The Journal of Chemical Physics 148 (11), 114108 (2018)

Theophilou, I.; Lathiotakis, N. N.; Helbig, N.: Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory. Journal of Chemical Theory and Computation 12 (6), pp. 2668 - 2678 (2016)