Sfoglia per Autore
Intermolecular forces and fixed-node diffusion Monte Carlo: A brute force test of accuracies for He-2 and He-LiH
2003-01-01 Mella, Massimo; J. B., Anderson
Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization
2003-01-01 M., Casalegno; Mella, Massimo; A. M., Rappe
Quantum Monte Carlo estimators for the positron-electron annihilation rate in bound and low-energy scattering states
2004-01-01 S., Chiesa; Mella, Massimo; Morosi, Gabriele
Energetic, solvation, and spectroscopy of pure and atomic doped He clusters.
2004-01-01 Mella, Massimo; Bressanini, Dario; Morosi, Gabriele; Cargnoni, F; Chiesa, S; Calderoni, G.
Borromean binding in H-2 with Yukawa potential: A nonadiabatic quantum Monte Carlo study
2004-01-01 Bertini, L.; Mella, Massimo; Bressanini, Dario; Morosi, Gabriele
Nuclear quantum effects on the structure and energetics of (H2O)(6)H+
2005-01-01 Mella, Massimo; J. L., Kuo; D. C., Clary; M. L., Klein
Improved importance sampling distribution for rate constant calculation
2005-01-01 Mella, Massimo
Predicting atomic dopant solvation in helium clusters: The MgHen case
2005-01-01 Mella, Massimo; G., Calderoni; F., Cargnoni
Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities
2005-01-01 M. W., Lee; Mella, Massimo; A. M., Rappe
Efficient calculation of low energy statistical rates for gas phase dissociation using umbrella sampling
2006-01-01 Mella, Massimo
Alternative low energy mechanisms for isotopic exchange in the gas phase reaction between D2O and H+(H2O)n (n=2-5)
2006-01-01 Mella, Massimo; Ponti, A.
Improved diffusion Monte Carlo propagators for bosonic systems using Ito calculus
2006-01-01 Hakansson, P.; Mella, Massimo; Bressanini, Dario; Morosi, Gabriele; Patrone, M.
Study of the structure, energetics, and vibrational properties of small ammonia clusters (NH3)n (n=2-5) using correlated ab initio methods
2006-01-01 P. E., Janeiro Barral; Mella, Massimo
Application of valence-bond techniques to the study of weakly bound complexes. The potential energy surface of the Ne-CH4 system
2007-01-01 F., Cargnoni; Mella, Massimo; M., Raimondi
Improved diffusion Monte Carlo for bosonic systems using time-step extrapolation "on the fly"
2007-01-01 P., Hakansson; Mella, Massimo
Macroscopic evidences for non-Rice-Ramsperger-Kassel effects in the reaction between H3O+ and D2O: The occurrence of nonstatistical isotopic branching ratio
2007-01-01 Mella, Massimo
Importance sampling for quantum Monte Carlo in manifolds: Addressing the time scale problem in simulations of molecular aggregates
2008-01-01 T., Luan; E., Curotto; Mella, Massimo
Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): A theoretical investigation
2008-01-01 F., Cargnoni; T., Kus; Mella, Massimo; R. J., Bartlett
Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei
2008-01-01 P., Hakansson; Mella, Massimo
Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X(13-n)Y(n) (n=0-3)
2008-01-01 Mella, Massimo
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