Articoli con mandati relativi all'accesso pubblico - Enrico RoncaUlteriori informazioni
Non disponibili pubblicamente: 6
Time-dependent density functional theory modeling of spin–orbit coupling in ruthenium and osmium solar cell sensitizers
E Ronca, F De Angelis, S Fantacci
The Journal of Physical Chemistry C 118 (30), 17067-17078, 2014
Mandati: Governo Italiano
Density relaxation in time-dependent density functional theory: Combining relaxed density natural orbitals and multireference perturbation theories for an improved description …
E Ronca, C Angeli, L Belpassi, F De Angelis, F Tarantelli, M Pastore
Journal of Chemical Theory and Computation 10 (9), 4014-4024, 2014
Mandati: Governo Italiano
Impact of spin–orbit coupling on photocurrent generation in ruthenium dye-sensitized solar cells
S Fantacci, E Ronca, F De Angelis
The Journal of Physical Chemistry Letters 5 (2), 375-380, 2014
Mandati: Governo Italiano
Energy level alignment at titanium oxide–dye interfaces: Implications for electron injection and light harvesting
L Lasser, E Ronca, M Pastore, F De Angelis, J Cornil, R Lazzaroni, ...
The Journal of Physical Chemistry C 119 (18), 9899-9909, 2015
Mandati: National Fund for Scientific Research, Belgium
Photoinduced Energy Shift in Quantum-Dot-Sensitized TiO2: A First-Principles Analysis
JM Azpiroz, E Ronca, F De Angelis
The journal of physical chemistry letters 6 (8), 1423-1429, 2015
Mandati: Government of Spain
Chemical Bond Mechanism for Helium Revealed by Electronic Excitation
D Cesario, F Nunzi, L Belpassi, F Pirani, E Ronca, F Tarantelli
The Journal of Physical Chemistry A 123 (30), 6572-6577, 2019
Mandati: Governo Italiano
Disponibili pubblicamente: 27
Cation-induced band-gap tuning in organohalide perovskites: interplay of spin–orbit coupling and octahedra tilting
A Amat, E Mosconi, E Ronca, C Quarti, P Umari, MK Nazeeruddin, ...
Nano letters 14 (6), 3608-3616, 2014
Mandati: Governo Italiano
Recent developments in the PySCF program package
The Journal of Chemical Physics 153, 024109, 2020
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
Coupled Cluster Theory for Molecular Polaritons: Changing Ground and Excited States
HK Tor S. Haugland, Enrico Ronca, Eirik F. Kjønstad, Angel Rubio
Physical Review X 10, 041043, 2020
Mandati: European Commission, Research Council of Norway
Shining light on the microscopic resonant mechanism responsible for cavity-mediated chemical reactivity
C Schäfer, J Flick, E Ronca, P Narang, A Rubio
Nature Communications 13 (1), 7817, 2022
Mandati: US Department of Energy, Gordon and Betty Moore Foundation, German Research …
Intermolecular interactions in optical cavities: An ab initio QED study
TS Haugland, C Schäfer, E Ronca, A Rubio, H Koch
The Journal of Chemical Physics 154 (9), 2021
Mandati: European Commission, Research Council of Norway, Federal Ministry of …
Spectral Functions of the Uniform Electron Gas via Coupled-Cluster Theory and Comparison to the GW and Related Approximations
J McClain, J Lischner, T Watson, DA Matthews, E Ronca, SG Louie, ...
Physical Review B 93 (23), 235139, 2016
Mandati: US National Science Foundation, US Department of Energy, UK Engineering and …
Cavity quantum electrodynamical Chern insulator: Towards light-induced quantized anomalous Hall effect in graphene
X Wang, E Ronca, MA Sentef
Physical Review B, 2019
Mandati: German Research Foundation
Cavity control of Excitons in two dimensional Materials
S Latini, E Ronca, U De Giovannini, H Hübener, A Rubio
Nano Letters 19 (6), 3473-3479, 2019
Mandati: European Commission
Ground-state properties of the hydrogen chain: Dimerization, insulator-to-metal transition, and magnetic phases
M Motta, C Genovese, F Ma, ZH Cui, R Sawaya, GKL Chan, N Chepiga, ...
Physical Review X 10, 031058, 2020
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
A perspective on ab initio modeling of polaritonic chemistry: The role of non-equilibrium effects and quantum collectivity
D Sidler, M Ruggenthaler, C Schäfer, E Ronca, A Rubio
The Journal of Chemical Physics 156, 230901, 2022
Mandati: German Research Foundation, Swedish Research Council, European Commission …
A quantitative view of charge transfer in the hydrogen bond: the water dimer case
E Ronca, L Belpassi, F Tarantelli
ChemPhysChem 15 (13), 2682-2687, 2014
Mandati: Governo Italiano
Time-step targeting time-dependent and dynamical density matrix renormalization group algorithms with ab initio Hamiltonians
E Ronca, Z Li, CA Jimenez-Hoyos, GK Chan
Journal of Chemical Theory and Computation 13 (11), 5560-5571, 2017
Mandati: US National Science Foundation
Time-dependent N-electron valence perturbation theory with matrix product state reference wavefunctions for large active spaces and basis sets: Applications to the chromium …
A Sokolov, S Guo, E Ronca, GK Chan
The Journal of Chemical Physics 146 (24), 244102, 2017
Mandati: US Department of Energy
Molecular orbital theory in cavity QED environments
RR Riso, TS Haugland, E Ronca, H Koch
Nature communications 13 (1), 1368, 2022
Mandati: European Commission, Research Council of Norway
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