MPSD-Publikationen

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Zeitschriftenartikel (9)

2020
Zeitschriftenartikel
Virial Relations for Electrons Coupled to Quantum Field Modes
Journal of Chemical Theory and Computation 16 (10), 6236–6243 (2020)
Zeitschriftenartikel
Light–Matter Hybrid-Orbital-Based First-Principles Methods: The Influence of Polariton Statistics
Journal of Chemical Theory and Computation 16 (9), 5601–5620 (2020)
Zeitschriftenartikel
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
Zeitschriftenartikel
Reduced Density-Matrix Approach to Strong Matter-Photon Interaction
ACS Photonics 6 (11), 2694–2711 (2019)
Zeitschriftenartikel
Force balance approach for advanced approximations in density functional theories
The Journal of Chemical Physics 151 (15), 154107 (2019)
Zeitschriftenartikel
Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations
Journal of Chemical Theory and Computation 15 (10), 5209–5220 (2019)
2018
Zeitschriftenartikel
Kinetic-Energy Density-Functional Theory on a Lattice
Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018)
Zeitschriftenartikel
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
Zeitschriftenartikel
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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