Sfoglia per Autore
Quantum monte carlo treatment of the charge transfer and diradical electronic character in a retinal chromophore minimal model
2015-01-01 Zen, A.; Coccia, E.; Gozem, S.; Olivucci, M.; Guidoni, L.
Investigating Disjoint Non-Kekulé Diradicals with Quantum Monte Carlo: The Tetramethyleneethane Molecule through the Jastrow Antisymmetrized Geminal Power Wave Function
2015-01-01 Barborini, M; Coccia, E
Optimal-continuum and multicentered Gaussian basis sets for high-harmonic generation spectroscopy
2016-01-01 Coccia, Emanuele; Luppi, E
Gaussian continuum basis functions for calculating high-harmonic generation spectra
2016-01-01 Coccia, E; Mussard, B; Labeye, M; Caillat, J; Taieb, R; Toulouse, ; Luppi,
Role of Electron Correlation along the Water Splitting Reaction
2016-01-01 Chu, Shibing; Coccia, Emanuele; Barborini, Matteo; Guidoni, Leonardo
Excited rotational states in doped ⁴He clusters: a diffusion Monte Carlo analysis
2017-01-01 Coccia, E
Time-Dependent Linear-Response Variational Monte Carlo
2017-01-01 Mussard, B; Coccia, E; Assaraf, R; Otten, M; Umrigar, C J; Toulouse, J.
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets
2017-01-01 Coccia, E; Assaraf, R; Luppi, E; Toulouse, J
Impact of molecular flexibility on the site energy shift of chlorophylls in Photosystem II
2017-01-01 Narzi, Daniele; Coccia, Emanuele; Manzoli, Marco; Guidoni, Leonardo
Theoretical description of protein field effects on electronic excitations of biological chromophores
2017-01-01 Varsano, D; Caprasecca, S; Coccia, E
Theoretical S1 →S0 Absorption Energies of the Anionic Forms of Oxyluciferin by Variational Monte Carlo and Many-Body Green's Function Theory
2017-01-01 Coccia, E; Varsano, D; Guidoni, L
Probing quantum coherence in ultrafast molecular processes: An ab initio approach to open quantum systems
2018-01-01 Coccia, Emanuele; Troiani, Filippo; Corni, Stefano
Optimal Basis Set for Electron Dynamics in Strong Laser Fields: The case of Molecular Ion H2+
2018-01-01 Labeye, Marie; Zapata, Felipe; Coccia, Emanuele; Véniard, Valérie; Toulouse, Julien; Caillat, Jérémie; Taïeb, Richard; Luppi, Eleonora
Manipulating azobenzene photoisomerization through strong light–molecule coupling
2018-01-01 Fregoni, J.; Granucci, G.; Coccia, E.; Persico, M.; Corni, S.
Detecting the minimum in argon high-harmonic generation spectrum using Gaussian basis sets
2019-01-01 Coccia, E.; Luppi, E.
Role of coherence in the plasmonic control of molecular absorption
2019-01-01 Coccia, E.; Corni, S.
Hybrid theoretical models for molecular nanoplasmonics
2020-01-01 Coccia, E.; Fregoni, J.; Guido, C. A.; Marsili, M.; Pipolo, S.; Corni, S.
TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
2020-01-01 Nakano, K.; Attaccalite, C.; Barborini, M.; Capriotti, L.; Casula, M.; Coccia, E.; Dagrada, M.; Genovese, C.; Luo, Y.; Mazzola, G.; Zen, A.; Sorella, S.
How electronic dephasing affects the high-harmonic generation in atoms
2020-01-01 Coccia, E.
Investigating ultrafast two-pulse experiments on single DNQDI fluorophores: A stochastic quantum approach
2020-01-01 Dall'Osto, G.; Coccia, E.; Guido, C. A.; Corni, S.
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