DITTE, M., BARBORINI, M., & TKATCHENKO, A. (06 March 2024). Quantum Drude oscillators coupled with Coulomb potential as an efficient model for bonded and non-covalent interactions in atomic dimers. Journal of Chemical Physics, 160 (9), 094309. doi:10.1063/5.0196690 Peer Reviewed verified by ORBi |
DITTE, M. (2024). Molecules in Environments: Towards Systematic Quantum Embedding of Electrons and Drude Oscillators [Doctoral thesis, Unilu - University of Luxembourg [LU]]. ORBilu-University of Luxembourg. https://orbilu.uni.lu/handle/10993/60461 |
DITTE, M., BARBORINI, M., MEDRANO SANDONAS, L., & TKATCHENKO, A. (30 November 2023). Molecules in Environments: Toward Systematic Quantum Embedding of Electrons and Drude Oscillators. Physical Review Letters, 131 (22). doi:10.1103/physrevlett.131.228001 Peer Reviewed verified by ORBi |