Abstract
We present a rigorous characterization of the ground state structures of p-H2 clusters and their isotopologues using diffusion Monte Carlo combined with the inherent structures analysis. For the N = 19 cluster we explore the effect of "quantum melting" by quantifying the contributions of local minima to the ground state as a function of continuously varying particle mass. Doubling the cluster size leads to an enormous increase of its complexity: the ground state of (p-H2)38 is highly delocalized over a large number of minima representing all the funnels of the potential energy surface. The ground state of (o-D2)38 is also delocalized, but over a smaller subset of minima, which exclusively belong to the same disordered motif.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
