Structure and spectroscopic properties of the beryllium hydride ion BeH+: potential energy curves, spectroscopic constants, vibrational levels and permanent dipole moments

Reversing hydride-ion formation in quantum-information experiments withBe+

“…We note that no protons are observed within the Coulomb crystal after PD, thereby confirming the asymptote of the theoretical B 1 Π potential of Fig. 2(a) [25,26].…”

“…In Fig. 2(a), we present the six lowest-energy electronic states of the BeH + molecule as calculated in [25,26]. The given electronic states all asymptote to Be + + H at large internuclear separation; the Be + H + asymptotes possess larger energies.…”

“…2: (color online) (a) Low-lying electronic states of the BeH + molecular ion as calculated in Refs. [25,26]. We excite the B 1 Π ← X 1 Σ + (v = 0) transition above the dissociation threshold to produce Be + and H as given by the B 1 Π asymptote.…”

“…where α is the fine structure constant, e (a 0 ) is the electron charge (Bohr radius), µ trans = 1.136 ea 0 is the B 1 Π ← X 1 Σ + transition dipole moment calculated in [25,26], E ph is the photon energy, φ(E, R) is upperstate vibrational wavefunction with energy E above the dissociation threshold, ψ v =0 (R) is the bound state vibrational wavefunction, and R is the internuclear separation. A double-prime indicates a lower state and a singleprime indicates an upper state throughout this report.…”

“…( 4), Z is the partition function, k b is Boltzmann's constant, T is room temperature, and E J is the relative energy of level J . Note that the B 1 Π state is predicted to support at least eight bound vibrational levels [25,26], but we neglect any off-resonant couplings to such bound states for this work as the long-wavelength limit of the cross section calculation of Fig. 2(b) is ∼0.1 eV above the dissociation energy of the B 1 Π potential.…”