title: Charge asymmetry in the rovibrationally excited HD molecule.
abstract: The recently developed method for performing all-particle non-Born-Oppenheimer variational calculations on diatomic molecular systems excited to the first excited rotational state and simultaneously vibrationally excited is employed to study the charge asymmetry and the level lifetimes of the HD molecule. The method uses all-particle explicitly correlated Gaussian functions. The nonlinear parameters of the Gaussians are optimized with the aid of the analytical energy gradient determined with respect to these parameters.
authors.affiliation: Department of Physics, University of Arizona, Tucson, Arizona 85721, USA.
authors.forename: Nikita
authors.initials: N
authors.lastname: Kirnosov
authors.affiliation: Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona 85721, USA.
authors.forename: Keeper
authors.initials: K
authors.lastname: Sharkey
authors.affiliation: Department of Physics, University of Arizona, Tucson, Arizona 85721, USA.
authors.forename: Ludwik
authors.initials: L
authors.lastname: Adamowicz