Publikationen von I. Theophilou

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

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

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

N. Tancogne-Dejean, M. J. T. Oliveira, X. Andrade, H. Appel, C. H. Borca, G. Le Breton, F. Buchholz, A. Castro, S. Corni, A. A. Correa, U. de Giovannini, A. Delgado, F. G. Eich, J. Flick, G. Gil, A. Gomez, N. Helbig, H. Hübener, R. Jestädt, J. Jornet-Somoza, A. H. Larsen, I. V. Lebedeva, M. Lüders, M. A. L. Marques, S. T. Ohlmann, S. Pipolo, M. Rampp, C. A. Rozzi, D. A. Strubbe, S. Sato, C. Schäfer, I. Theophilou, A. Welden, und A. Rubio, 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).

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

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

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

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

I. Theophilou, N. N. Lathiotakis, und N. Helbig, 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).

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