SEGATTA, FRANCESCO

SEGATTA, FRANCESCO  

DIPARTIMENTO DI CHIMICA INDUSTRIALE "TOSO MONTANARI"  

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Titolo Autore(i) Anno Periodico Editore Tipo File
Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista acs.jctc.2c01059.pdfct2c01059_si_001.pdf
Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach Montorsi F.; Aranda D.; Garavelli M.; Santoro F.; Segatta F. 2023-01-01 THEORETICAL CHEMISTRY ACCOUNTS - 1.01 Articolo in rivista s00214-023-03035-3.pdf
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry Li Manni G.; Fdez. Galvan I.; Alavi A.; Aleotti F.; Aquilante F.; Autschbach J.; Avagliano D.; Ba...iardi A.; Bao J.J.; Battaglia S.; Birnoschi L.; Blanco-Gonzalez A.; Bokarev S.I.; Broer R.; Cacciari R.; Calio P.B.; Carlson R.K.; Carvalho Couto R.; Cerdan L.; Chibotaru L.F.; Chilton N.F.; Church J.R.; Conti I.; Coriani S.; Cuellar-Zuquin J.; Daoud R.E.; Dattani N.; Decleva P.; de Graaf C.; Delcey M.G.; De Vico L.; Dobrautz W.; Dong S.S.; Feng R.; Ferre N.; Filatov M.; Gagliardi L.; Garavelli M.; Gonzalez L.; Guan Y.; Guo M.; Hennefarth M.R.; Hermes M.R.; Hoyer C.E.; Huix-Rotllant M.; Jaiswal V.K.; Kaiser A.; Kaliakin D.S.; Khamesian M.; King D.S.; Kochetov V.; Krosnicki M.; Kumaar A.A.; Larsson E.D.; Lehtola S.; Lepetit M.-B.; Lischka H.; Lopez Rios P.; Lundberg M.; Ma D.; Mai S.; Marquetand P.; Merritt I.C.D.; Montorsi F.; Morchen M.; Nenov A.; Nguyen V.H.A.; Nishimoto Y.; Oakley M.S.; Olivucci M.; Oppel M.; Padula D.; Pandharkar R.; Phung Q.M.; Plasser F.; Raggi G.; Rebolini E.; Reiher M.; Rivalta I.; Roca-Sanjuan D.; Romig T.; Safari A.A.; Sanchez-Mansilla A.; Sand A.M.; Schapiro I.; Scott T.R.; Segarra-Marti J.; Segatta F.; Sergentu D.-C.; Sharma P.; Shepard R.; Shu Y.; Staab J.K.; Straatsma T.P.; Sorensen L.K.; Tenorio B.N.C.; Truhlar D.G.; Ungur L.; Vacher M.; Veryazov V.; Voss T.A.; Weser O.; Wu D.; Yang X.; Yarkony D.; Zhou C.; Zobel J.P.; Lindh R. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista SI_compressed.pdfNENOV_li-manni-et-al-2023-the-openmolcas-web-a-community-driven-approach-to-advancing-computational-chemistry (9).pdf
Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol Segatta F.; Aranda D.; Aleotti F.; Montorsi F.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A. 2023-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista segatta-et-al-2023-time-resolved-x-ray-absorption-spectroscopy-an-mctdh-quantum-dynamics-protocol.pdf
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes Montorsi F.; Segatta F.; Nenov A.; Mukamel S.; Garavelli M. 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista Segatta_22_JCTC_NEXAFS_with_RASPT2.pdfSegatta_22_JCTC_NEXAFS_with_RASPT2_SI.pdf
Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes Montorsi, Francesco; Segatta, Francesco; Nenov, Artur; Mukamel, Shaul; Garavelli, Marco 2022-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista -
Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy Nam Y.; Keefer D.; Nenov A.; Conti I.; Aleotti F.; Segatta F.; Lee J.Y.; Garavelli M.; Mukamel S. 2021-01-01 THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS - 1.01 Articolo in rivista JPCL_MainText.pdfJPCL_SuppInfo.pdf
Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S. 2021-01-01 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY - 1.01 Articolo in rivista azob_oct_rev1.pdf
Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Ga...ravelli, Marco; Mukamel, Shaul 2021-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 1.01 Articolo in rivista Mukamel_21_PNAS_Azobenzene_X-ray_diffraction.pdf
In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye Segatta F.; Russo M.; Nascimento D.R.; Presti D.; Rigodanza F.; Nenov A.; Bonvicini A.; Arcioni A....; Mukamel S.; Maiuri M.; Muccioli L.; Govind N.; Cerullo G.; Garavelli M. 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista 92_PBI.pdfsi_92_PBI.pdf
iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M. 2021-01-01 JOURNAL OF COMPUTATIONAL CHEMISTRY - 1.01 Articolo in rivista iSPECTRON.pdf
Manipulating Core Excitations in Molecules by X-Ray Cavities Gu B.; Nenov A.; Segatta F.; Garavelli M.; Mukamel S. 2021-01-01 PHYSICAL REVIEW LETTERS - 1.01 Articolo in rivista PRLett_accepted_Garavelli.pdf
Modeling Nonperturbative Field-Driven Vibronic Dynamics: Selective State Preparation and Nonlinear Spectroscopy Justin Provazza, Francesco Segatta, David F. Coker 2021-01-01 JOURNAL OF CHEMICAL THEORY AND COMPUTATION - 1.01 Articolo in rivista PLDM_FIELD_DRIVEN_0.pdf
Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D. 2021-01-01 MOLECULES - 1.01 Articolo in rivista molecules-26-00396.pdf
Unveiling the spatial distribution of molecular coherences at conical intersections by covariance X-ray diffraction signals Cavaletto S.M.; Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S. 2021-01-01 PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA - 1.01 Articolo in rivista Time_Freq_Diffraction5.pdf
Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections Segatta F.; Nenov A.; Orlandi S.; Arcioni A.; Mukamel S.; Garavelli M. 2020-01-01 FARADAY DISCUSSIONS - 1.01 Articolo in rivista Manuscript_Garavellipdf.pdf
Modeling multidimensional spectral lineshapes from first principles: Application to water-solvated adenine Segarra-Marti J.; Segatta F.; Mackenzie T.A.; Nenov A.; Rivalta I.; Bearpark M.J.; Garavelli M. 2020-01-01 FARADAY DISCUSSIONS - 1.01 Articolo in rivista Faraday_v2.pdf
Modern quantum chemistry with [open]molcas Aquilante F.; Autschbach J.; Baiardi A.; Battaglia S.; Borin V.A.; Chibotaru L.F.; Conti I.; De V...ico L.; Delcey M.; Galvan I.F.; Ferre N.; Freitag L.; Garavelli M.; Gong X.; Knecht S.; Larsson E.D.; Lindh R.; Lundberg M.; Malmqvist P.A.; Nenov A.; Norell J.; Odelius M.; Olivucci M.; Pedersen T.B.; Pedraza-Gonzalez L.; Phung Q.M.; Pierloot K.; Reiher M.; Schapiro I.; Segarra-Marti J.; Segatta F.; Seijo L.; Sen S.; Sergentu D.-C.; Stein C.J.; Ungur L.; Vacher M.; Valentini A.; Veryazov V. 2020-01-01 THE JOURNAL OF CHEMICAL PHYSICS - 1.01 Articolo in rivista Quantum_chemistry_Garavelli_compressed.pdf
Monitoring ultrafast photoisomerization of azobenzene by time-resolved x-ray diffraction Keefer D.; Aleotti F.; Rouxel J.; Segatta F.; Gu B.; Nenov A.; Garavelli M.; Mukamel S. 2020-01-01 - - 4.01 Contributo in Atti di convegno -
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems Segatta F.; Cupellini L.; Garavelli M.; Mennucci B. 2019-01-01 CHEMICAL REVIEWS - 1.01 Articolo in rivista FocRev_Multi.pdf