Jaiswal, V. K.; Montorsi, F.; Aleotti, F.; Segatta, F.; Keefer, Daniel; Mukamel, Shaul; Nenov, A.; Conti, I.; Garavelli, M., Ultrafast photochemistry and electron-diffraction spectra in n → (3s) Rydberg excited cyclobutanone resolved at the multireference perturbative level, «THE JOURNAL OF CHEMICAL PHYSICS», 2024, 160, Article number: 164316 , pp. 1 - 9 [Scientific article]Open Access
Loreti, Alessandro; Freixas, Victor Manuel; Avagliano, Davide; Segatta, Francesco; Song, Huajing; Tretiak, Sergei; Mukamel, Shaul; Garavelli, Marco; Govind, Niranjan; Nenov, Artur, WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2024, 20, pp. 4804 - 4819 [Scientific article]
Segatta F.; Ruiz D.A.; Aleotti F.; Yaghoubi M.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A., Nonlinear Molecular Electronic Spectroscopy via MCTDH Quantum Dynamics: From Exact to Approximate Expressions, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 2075 - 2091 [Scientific article]Open Access
Montorsi F.; Aranda D.; Garavelli M.; Santoro F.; Segatta F., Spectroscopy from quantum dynamics: a mixed wave function/analytical line shape functions approach, «THEORETICAL CHEMISTRY ACCOUNTS», 2023, 142, Article number: 108 , pp. 1 - 17 [Scientific article]Open Access
Li Manni, G.; Fde, z. Galvan I.; Alavi, A.; Aleotti, F.; Aquilante, F.; Autschbach, J.; Avagliano, D.; Baiardi, 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.; Olivucc, The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 19, pp. 6933 - 6991 [Scientific article]Open Access
Segatta F.; Aranda D.; Aleotti F.; Montorsi F.; Mukamel S.; Garavelli M.; Santoro F.; Nenov A., Time-Resolved X-ray Absorption Spectroscopy: An MCTDH Quantum Dynamics Protocol, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2023, 20, pp. 307 - 322 [Scientific article]Open Access
Montorsi, F.; Segatta, F.; Nenov, A.; Mukamel, S.; Garavelli, M., Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2022, 18, pp. 1003 - 1016 [Scientific article]Open Access
Nam, Y.; Keefer, D.; Nenov, A.; Conti, I.; Aleotti, F.; Segatta, F.; Lee, J. Y.; Garavelli, M.; Mukamel, S., Conical Intersection Passages of Molecules Probed by X-ray Diffraction and Stimulated Raman Spectroscopy, «THE JOURNAL OF PHYSICAL CHEMISTRY LETTERS», 2021, 12, pp. 12300 - 12309 [Scientific article]Open Access
Keefer D.; Rouxel J.R.; Aleotti F.; Segatta F.; Garavelli M.; Mukamel S., Diffractive Imaging of Conical Intersections Amplified by Resonant Infrared Fields, «JOURNAL OF THE AMERICAN CHEMICAL SOCIETY», 2021, 143, pp. 13806 - 13815 [Scientific article]Open Access
Keefer, Daniel; Aleotti, Flavia; Rouxel, Jérémy R; Segatta, Francesco; Gu, Bing; Nenov, Artur; Garavelli, Marco; Mukamel, Shaul, Imaging conical intersection dynamics during azobenzene photoisomerization by ultrafast X-ray diffraction, «PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA», 2021, 118, Article number: e2022037118 , pp. 1 - 10 [Scientific article]Open Access
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., In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 7134 - 7145 [Scientific article]Open Access
Segatta F.; Nenov A.; Nascimento D.R.; Govind N.; Mukamel S.; Garavelli M., iSPECTRON: A simulation interface for linear and nonlinear spectra with ab-initio quantum chemistry software, «JOURNAL OF COMPUTATIONAL CHEMISTRY», 2021, 42, pp. 644 - 659 [Scientific article]Open Access
Gu, B.; Nenov, A.; Segatta, F.; Garavelli, M.; Mukamel, S., Manipulating Core Excitations in Molecules by X-Ray Cavities, «PHYSICAL REVIEW LETTERS», 2021, 126, Article number: 053201 , pp. 1 - 7 [Scientific article]Open Access
Justin Provazza, Francesco Segatta, David F. Coker, Modeling Nonperturbative Field-Driven Vibronic Dynamics: Selective State Preparation and Nonlinear Spectroscopy, «JOURNAL OF CHEMICAL THEORY AND COMPUTATION», 2021, 17, pp. 29 - 39 [Scientific article]Open Access
Segatta F.; Rogers D.M.; Dyer N.T.; Guest E.E.; Li Z.; Do H.; Nenov A.; Garavelli M.; Hirst J.D., Near-ultraviolet circular dichroism and two-dimensional spectroscopy of polypeptides, «MOLECULES», 2021, 26, Article number: 396 , pp. 1 - 13 [Scientific article]Open Access
