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AMOVILLI, CLAUDIO Statistiche

AMOVILLI, CLAUDIO  

DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE  

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Risultati 1 - 20 di 122 (tempo di esecuzione: 0.024 secondi).
Titolo Data di pubblicazione Autore(i) File
A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium 1-gen-2012 Floris, FRANCA MARIA; Filippi, Claudia; Amovilli, Claudio
A form of the single-particle kinetic energy density of an inhomogeneous electron liquid from a combination of one-body potential and ground-state electron density 1-gen-2011 Amovilli, Claudio; March, N. H.
A MATRIX PARTITIONING APPROACH TO THE CALCULATION OF INTERMOLECULAR POTENTIALS - GENERAL-THEORY AND SOME EXAMPLES 1-gen-1990 Amovilli, Claudio; Mcweeny, R.
An exact coupled cluster theory for Moshinsky and Hookean two-electron model atoms with spin-compensated ground states 1-gen-2003 Amovilli, Claudio; N. H., March
Analytic inhomogeneous electron liquid and its density for model spin-compensated two-electron atomic ions with Coulomb confinement: an exact nonrelativistic Hamiltonian 1-gen-2008 Amovilli, Claudio; HOWARD IRIS, A; MARCH NORMAN, 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.
Approximate ansatz for the expansion of the spherically averaged wave function in terms of interelectronic separation r12 for the Hookean atom, atomic ions and the H2 molecule 1-gen-2003 Amovilli, Claudio; A., Nagy; N. H., March
Asymptotic form at large r of a third-order linear homogeneous differential equation for the ground-state electron density of the He atom 1-gen-2008 MARCH NORMAN, H; Nagy, Agnes; Amovilli, Claudio
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions 1-gen-2013 Francesco, Fracchia; Claudia, Filippi; Amovilli, Claudio
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.
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.
Calculation of the dispersion energy contribution to the solvation free energy 1-gen-1994 Amovilli, Claudio
Calculation of the intermolecular energy of large moleculaes by a fragmentation scheme: application to 4-n-pentyl-4'-cyanobiphenyl (5CB) dimer 1-gen-2002 Amovilli, Claudio; Cacelli, Ivo; Campanile, S; Prampolini, G.
CHARACTERIZATION OF POTENTIAL-ENERGY CURVES FOR H-2+ AND H-2 BY LOCAL VALUES OF ELECTRON-DENSITY 1-gen-1990 Amovilli, Claudio; March, Nh
Core-Hole States and the Koopmans Theorem 1-gen-1996 Amovilli, Claudio; Mcweeny, R.
Correlated kinetic energy density functional of ground states of harmonically confined two-electron atoms for arbitrary interparticle interaction 1-gen-2012 Amovilli, Claudio; March, N. H.
CORRELATION-ENERGY AND THE USE OF LINNETT-TYPE ORBITALS IN VB CALCULATIONS FOR BENZENE AND PYRIDINE 1-gen-1991 Amovilli, Claudio; Harcourt, Rd; Mcweeny, R.
Coupling Quantum Monte Carlo to a Nonlinear Polarizable Continuum Model for Spherical Solutes 1-gen-2006 Amovilli, Claudio; C., Filippi; Floris, FRANCA MARIA
Critical conditions (zero ionization potential) in model N_2-like molecular ions 1-gen-2018 Amovilli, C.; Floris, F. M.
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.