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D. Toffoli, M. Medves, G. Fronzoni, E. Coccia, M. Stener, L. Sementa and A. Fortunelli: Molecules, 27, 93 (2022), Plasmonic Circular Dichroism in Chiral Gold Nanowire Dimers
E. Coccia and E. Luppi: J. Phys.: Condens. Matter, 34, 073001 (2022), Time-dependent ab initio approaches for high-harmonic generation spectroscopy
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- Written by: Emanuele Coccia
- Category: Publications
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E. Coccia, D. Varsano, L. Guidoni: J. Chem. Theory Comput., 13, 4357 (2017), Theoretical S1←S0 absorption energies of the anionic forms of oxyluciferin by Variational Monte Carlo and Many Body Green’s Function Theory
D. Narzi, E. Coccia, M. Manzoli, L. Guidoni: Biophys. Chem., 229, 93 (2017), Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II
E. Coccia, R. Assaraf, E. Luppi, J. Toulouse: J. Chem. Phys., 147, 014106 (2017), Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
E. Coccia: J. Low. Temp. Phys., 188, 22 (2017), Excited rotational states in doped 4He clusters: a diffusion Monte Carlo analysis
D. Varsano, S. Caprasecca, E. Coccia: J. Phys.: Condens. Matter, 29, 013002 (2017), Theoretical description of protein field effects on electronic excitations of biological chromophores
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- Written by: Emanuele Coccia
- Category: Publications
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M. Labeye, F. Zapata, E. Coccia, V. Veniard, J. Toulouse, J. Caillat, R. Taieb, E. Luppi: J. Chem. Theory. Comput., 14, 5846 (2018), On the optimal basis set for electron dynamics in strong laser fields: The case of molecular ion H+2
J. Fregoni, G. Granucci, E. Coccia, M. Persico, S. Corni: Nat. Commun., 9, 4688 (2018), Manipulating azobenzene photoisomerization through strong light-molecule coupling
E. Coccia, F. Troiani, S. Corni: J. Chem. Phys., 148, 204112 (2018), Probing quantum coherence in ultrafast molecular processes: an ab initio approach to open quantum systems
B. Mussard, E. Coccia, R. Assaraf, M. Otten, C. J. Umrigar, J. Toulouse: Adv. Quantum Chem., 76, 255 (2018), Time-dependent Linear-Response Variational Monte Carlo
D. Toffoli, A. Guarnaccio, C. Grazioli, T. Zhang, F. Johansson, M. de Simone, M. Coreno, A. Santagata, M. D’Auria, C. Puglia, E. Bernes, M. Stener and G. Fronzoni: J. Phys. Chem. A, 122, 8745 (2018) Electronic Structure Characterization of a Thiophene Benzo-Annulated Series of Common Building Blocks for Donor and Acceptor Compounds Studied by Gas Phase Photoelectron and Photoabsorption Synchrotron Spectroscopies
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- Written by: Emanuele Coccia
- Category: Publications
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E. Coccia and S. Corni: J. Chem. Phys., 151, 044703 (2019), Role of coherence in the plasmonic control of molecular absorption
E. Coccia and E. Luppi: Theor. Chem. Acc., 138, 96 (2019), Detecting the minimum in argon high-harmonic generation spectrum using Gaussian basis sets
D. Toffoli, A. Ponzi, E. Bernes, M. de Simone, C. Grazioli, M. Coreno, M. Stredansky, A. Cossaro, G. Fronzoni, J. Chem. Phys: 151, 134306 (2019) Correlation effects in B1s core-excited states of boronic-acid derivatives: An experimental and computational study
N. A. Sakthivel, M. Stener, L. Sementa, M. Medves, G. Ramakrishna, A. Fortunelli, A. G. Oliver, and A. Dass, J. Phys. Chem. C, 123, 29484 (2019) Crystal Structure of Au36-xAgx(SPh-tBu)24 Nanoalloy and the Role of Ag Doping in Excited State Coupling
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E. Coccia, J. Fregoni, C. A. Guido, M. Marsili, S. Pipolo and S. Corni: J. Chem. Phys., 153, 200901 (2020), Hybrid theoretical models for molecular nanoplasmonics
G. Dall’Osto, E. Coccia, C. A. Guido and S. Corni: Phys. Chem. Chem. Phys., 22, 16734 (2020), Investigating ultrafast two-pulse experiments on single DNQDI fluorophore: a stochastic quantum approach
E. Coccia: Mol. Phys., 118, e1769871 (2020), How electronic dephasing affects the high- harmonic generation in atoms
K. Nakano, C. Attaccalite, M. Barborini, L. Capriotti, M. Casula, E. Coccia, M. Dagrada, C. Genovese, Y. Luo, G. Mazzola, A. Zen and S. Sorella: J. Chem. Phys., 152, 204121 (2020), TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
A. Guarnaccio, T. Zhang, C. Grazioli, F. Johansson, M. Coreno, M. de Simone, G. Fronzoni, D. Toffoli, E. Bernes and C. Puglia: J. Phys. Chem. C, 124, 9774 (2020) PPT Isolated Molecule and Its Building Block Moieties Studied by C 1s and O 1s Gas Phase X-ray Photoelectron and Photoabsorption Spectroscopies
O. Plekan, H. Sa'adeh, A. Ciavardini, C. Callegari, G. Cautero, C. Dri, M. Di Fraia, K.C. Prince, R. Richter, R. Sergo, L. Stebel, M. Devetta, D. Faccialà, C. Vozzi, L. Avaldi, P. Bolognesi, M.C. Castrovilli, D. Catone, M. Coreno, F. Zuccaro, E. Bernes, G. Fronzoni, D. Toffoli, A. Ponzi: J. Phys. Chem. A, 124, 4115 (2020) Experimental and Theoretical Photoemission Study of Indole and Its Derivatives in the Gas Phase
E. Bernes, G. Fronzoni, M. Stener, A. Guarnaccio, T. Zhang, C. Grazioli, F. Johansson, M. Coreno, M. de Simone, C. Puglia, D. Toffoli: J. Phys. Chem. C, 124, 14510 (2020) S 2p and P 2p Core Level Spectroscopy of PPT Ambipolar Material and Its Building Block Moieties
K. R. Krishnadas, L. Sementa, M. Medves, A. Fortunelli, M. Stener, A. Fürstenberg, G. Longhi, and T. Bürgi, ACS Nano, 14, 9687 (2020) Chiral Functionalization of an Atomically Precise Noble Metal Cluster: Insights into the Origin of Chirality and Photoluminescence
M. Medves, L. Sementa, D. Toffoli, G. Fronzoni, A. Fortunelli, and M. Stener, J. Chem. Phys., 152, 184104 (2020), An efficient hybrid scheme for time dependent density functional theory
