Charge asymmetry in the rovibrationally excited HD molecule

Nikita Kirnosov, Keeper Sharkey, Ludwik Adamowicz

Research output: Contribution to journalArticle

6 Scopus citations

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.

Original languageEnglish (US)
Article number104115
JournalJournal of Chemical Physics
Volume140
Issue number10
DOIs
StatePublished - Mar 14 2014

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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