title: Ground and excited states of NH4: Electron propagator and quantum defect analysis.
abstract: Vertical excitation energies of the Rydberg radical NH4 are inferred from ab initio electron propagator calculations on the electron affinities of NH4+. The adiabatic ionization energy of NH4 is evaluated with coupled-cluster calculations. These predictions provide optimal parameters for the molecular-adapted quantum defect orbital method, which is used to determine Einstein emission coefficients and radiative lifetimes. Comparisons with spectroscopic data and previous calculations are discussed.
authors.affiliation: Department of Chemistry, Kansas State University, Manhattan, Kansas 66506-3701, USA. ortiz@ksu.edu
authors.forename: J V
authors.initials: JV
authors.lastname: Ortiz
authors.forename: I
authors.initials: I
authors.lastname: Martin
authors.forename: A M
authors.initials: AM
authors.lastname: Velasco
authors.forename: C
authors.initials: C
authors.lastname: Lavin