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physics.chem-ph2024
Theoretical Prediction of Low-Energy Experimental Photoelectron Spectra of AlNi Clusters (n=1-13)
Paulo H. Acioli
Context Mixed-metal clusters have long been studied because of their peculiar properties and how they change with cluster size, composition and charge state and their potential rol…
physics.chem-ph2006
Vibrational spectrum of the H5+ molecule using quantum Monte Carlo
Washington Barbosa da Silva, Luiz Roncaratti, Geraldo Magela e Silva +1
In this article we present a caracterization of the vibrational spectrum of the H5+ molecule using the correlation function quantum Monte Carlo (CFQMC) method and a genetic algorit…