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Items: 10

1.

Nonequilibrium Solvent Polarization Effects in Real-Time Electronic Dynamics of Solute Molecules Subject to Time-Dependent Electric Fields: A New Feature of the Polarizable Continuum Model.

Gil G, Pipolo S, Delgado A, Rozzi CA, Corni S.

J Chem Theory Comput. 2019 Apr 9;15(4):2306-2319. doi: 10.1021/acs.jctc.9b00010. Epub 2019 Mar 28.

2.

Quantum modeling of ultrafast photoinduced charge separation.

Rozzi CA, Troiani F, Tavernelli I.

J Phys Condens Matter. 2018 Jan 10;30(1):013002. doi: 10.1088/1361-648X/aa948a.

PMID:
29047450
3.

Tracking the coherent generation of polaron pairs in conjugated polymers.

De Sio A, Troiani F, Maiuri M, Réhault J, Sommer E, Lim J, Huelga SF, Plenio MB, Rozzi CA, Cerullo G, Molinari E, Lienau C.

Nat Commun. 2016 Dec 8;7:13742. doi: 10.1038/ncomms13742.

4.

Modeling solvation effects in real-space and real-time within density functional approaches.

Delgado A, Corni S, Pittalis S, Rozzi CA.

J Chem Phys. 2015 Oct 14;143(14):144111. doi: 10.1063/1.4932593.

PMID:
26472367
5.

Ab initio simulation of optical limiting: the case of metal-free phthalocyanine.

Cocchi C, Prezzi D, Ruini A, Molinari E, Rozzi CA.

Phys Rev Lett. 2014 May 16;112(19):198303. Epub 2014 May 15.

PMID:
24877971
6.

Coherent ultrafast charge transfer in an organic photovoltaic blend.

Falke SM, Rozzi CA, Brida D, Maiuri M, Amato M, Sommer E, De Sio A, Rubio A, Cerullo G, Molinari E, Lienau C.

Science. 2014 May 30;344(6187):1001-5. doi: 10.1126/science.1249771.

7.

Quantum coherence controls the charge separation in a prototypical artificial light-harvesting system.

Rozzi CA, Falke SM, Spallanzani N, Rubio A, Molinari E, Brida D, Maiuri M, Cerullo G, Schramm H, Christoffers J, Lienau C.

Nat Commun. 2013;4:1602. doi: 10.1038/ncomms2603.

8.

Electron-electron interactions in artificial graphene.

Räsänen E, Rozzi CA, Pittalis S, Vignale G.

Phys Rev Lett. 2012 Jun 15;108(24):246803. Epub 2012 Jun 15.

PMID:
23004308
9.

Photoexcitation of a light-harvesting supramolecular triad: a time-dependent DFT study.

Spallanzani N, Rozzi CA, Varsano D, Baruah T, Pederson MR, Manghi F, Rubio A.

J Phys Chem B. 2009 Apr 23;113(16):5345-9. doi: 10.1021/jp900820q.

PMID:
19331406
10.

Quenching of majority-channel quasiparticle excitations in cobalt.

Monastra S, Manghi F, Rozzi CA, Arcangeli C, Wetli E, Neff HJ, Greber T, Osterwalder J.

Phys Rev Lett. 2002 Jun 10;88(23):236402. Epub 2002 May 24.

PMID:
12059383

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