CINECA IRIS Institutional Research Information System

AMOVILLI, CLAUDIO Statistiche

AMOVILLI, CLAUDIO  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

Mostra records
Risultati 1 - 20 di 123 (tempo di esecuzione: 0.025 secondi).
Titolo Data di pubblicazione Autore(i) File
Method to Compute the Solute-Solvent Dispersion Contribution to the Electronic Excitation Energy in Solution 1-gen-2022 Amovilli, C.; Floris, F. M.
Calculation of potential energy surfaces with quantum Monte Carlo as a useful tool for the design of green chemical syntheses: The HOCO radical test case. 1-gen-2021 Amovilli, C.; Floris, F. M.
Extraction of a one-particle reduced density matrix from a quantum monte carlo electronic density: A new tool for studying nondynamic correlation 1-gen-2021 Naim, C.; Amovilli, C.
Intermolecular Pauli repulsion: a QMC study of molecules in ground and excited state in free space and in solution 1-gen-2020 Floris, F. M.; Amovilli, C.
On the effect of solute-solvent Pauli repulsion on n → π* transition for acrolein in water solution 1-gen-2020 Amovilli, C.; Floris, F. M.
Critical conditions (zero ionization potential) in model N_2-like molecular ions 1-gen-2018 Amovilli, C.; Floris, F. M.
Many-body Approaches at Different Scales: A Tribute to Norman H. March on the Occasion of his 90th Birthday 1-gen-2018 Angilella, G. G. N.; Amovilli, C.
Preface 1-gen-2018 Angilella, G. G. N.; Amovilli, C.
Shannon entropy and correlation energy for electrons in atoms 1-gen-2018 Amovilli, C.; Floris, F. M.
Shannon Entropy in Atoms: A Test for the Assessment of Density Functionals in Kohn-Sham Theory 1-gen-2018 Amovilli, C.; Floris, F. M.
Properties of electron density in weak binding conditions 1-gen-2017 Amovilli, C.; March, N. H.
Tallberg, DFT17 Poster A20: Shannon entropy and correlation energy for electrons in atoms 1-gen-2017 Floris, F. M.; Amovilli, C.
Variational quantum Monte Carlo results for N2, N2+ and C2– utilising the four-dimensional density of Bright Wilson 1-gen-2017 Amovilli, Claudio; March, N. H.
Approaching the s-wave model ground state energy of He-like atomic ions: results from a model Hamiltonian 1-gen-2016 Amovilli, Claudio; March, N. H.
Introducing QMC/MMpol: Quantum Monte Carlo in Polarizable Force Fields for Excited States 1-gen-2016 Guareschi, Riccardo; Zulfikri, Habiburrahman; Daday, Csaba; Floris, FRANCA MARIA; Amovilli, Claudio; Mennucci, Benedetta; Filippi, Claudia
Localized Polycentric Orbital Basis Set for Quantum Monte Carlo Calculations Derived from the Decomposition of Kohn-Sham Optimized Orbitals 1-gen-2016 Amovilli, Claudio; Floris, FRANCA MARIA; Grisafi, Andrea
Multiple-Resonance Local Wave Functions for Accurate Excited States in Quantum Monte Carlo 1-gen-2016 Zulfikri, Habiburrahman; Amovilli, Claudio; Filippi, Claudia
Poster 0157: A novel continuum model for the calculation of solute-solvent dispersion contribution to the electronic excitation energy in solution. 1-gen-2016 Amovilli, C.; Floris, F. M.
Bosonised DFT potential estimated from QMC calculations of the ground-state density for the inhomogeneous electron liquid in Be 1-gen-2015 Amovilli, Claudio; March, N. H.
Debrecen, DFT15 Poster: Localized polycentric orbital basis set for Quantum Monte Carlo calculations derived from the decomposition of Kohn-Sham optimized orbitals 1-gen-2015 Amovilli, C.; Floris, F. M.; Grisafi, A.