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Journal Article (9)

2020
Journal Article
Virial Relations for Electrons Coupled to Quantum Field Modes
Journal of Chemical Theory and Computation 16 (10), 6236–6243 (2020)
Journal Article
Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics
Journal of Chemical Theory and Computation 16 (9), 5601–5620 (2020)
Journal Article
Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
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, A. Rubio
The Journal of Chemical Physics 152 (12), 124119 (2020)
2019
Journal Article
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
ACS Photonics 6 (11), 2694–2711 (2019)
Journal Article
Force balance approach for advanced approximations in density functional theories
The Journal of Chemical Physics 151 (15), 154107 (2019)
Journal Article
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)
2018
Journal Article
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
Journal Article
Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study
I. Theophilou, N. N. Lathiotakis, N. Helbig
The Journal of Chemical Physics 148 (11), 114108 (2018)
2016
Journal Article
Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory
I. Theophilou, N. N. Lathiotakis, N. Helbig
Journal of Chemical Theory and Computation 12 (6), 2668–2678 (2016)
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