Quantum Effects on the Stability of the He5I2 van der Waals Conformers
Authors: Valdes, Alvaro; Prosmiti, Rita Contribution: Article Journal: JOURNAL OF COMPUTATIONAL CHEMISTRY Publication date: 2019/09/30 DOI: 10.1002/jcc.25870 Abstract: We present 15-dimensional quantum multiconfiguration time-dependent Hartree calculations of the vibrational levels of the He5I2 van der Waals (vdW) complex employing an ab initio-based potential energy surface (PES). The energies and spatial features of such bound structures are [...]