2 papers
physics.atm-clus2005
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…
physics.chem-ph2004
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…