70 citations · 300 across the 10 of their papers we have counts for
10 papers
Predicting atomic dopant solvation in helium clusters: the MgHe case
Massimo Mella, Gabriele Calderoni, Fausto Cargnoni
We present a quantum Monte Carlo study of the solvation and spectroscopic properties of the Mg doped helium clusters MgHe with . Three high level (MP4, CCSD(T) and CCSD…
Electronic Quantum Monte Carlo Calculations of Atomic Forces, Vibrations, and Anharmonicities
Myung Won Lee, Massimo Mella, Andrew M. Rappe
Atomic forces are calculated for first-row monohydrides and carbon monoxide within electronic quantum Monte Carlo (QMC). Accurate and efficient forces are achieved by using an impr…
Ground state and excitation dynamics in Ag doped helium clusters
Massimo Mella, Maria Carola Colombo, Gabriele Morosi
We present a quantum Monte Carlo study of the structure and energetics of silver doped helium clusters AgHe for up to 100. Our simulations show the first solvation shell of…
o-Positronium scattering off H and He
Simone Chiesa, Massimo Mella, Gabriele Morosi
Exploiting an approach similar to the R-matrix theory, the diffusion Monte Carlo method is employed to compute phase shifts and threshold cross sections for the elastic scattering…
Annihilation rate in positronic systems by quantum Monte Carlo. eLiH as test case
Massimo Mella, Simone Chiesa, Gabriele Morosi
An accurate method to compute the annihilation rate in positronic systems by means of quantum Monte Carlo simulations is tested and compared with previously proposed methods using…
Robust wave function optimization procedures in quantum Monte Carlo methods
Dario Bressanini, Gabriele Morosi, Massimo Mella
The energy variance optimization algorithm over a fixed ensemble of configurations in variational Monte Carlo is formally identical to a problem of fitting data: we reexamine it fr…