Abstract
We report quantum-mechanical and semiclassical WKB calculations for energies and wave functions of high-lying 2Σ states of H2+ in atomic units. The high-lying states we present lie in an unexplored regime, corresponding asymptotically to H ( n ≤ 146) plus a proton, with R ≤ 120 000 a0. We compare quantum-mechanical energies, spectroscopic constants, dipole matrix elements, and phases with semiclassical results and demonstrate a high level of agreement. Our quantum-mechanical phases were determined by using Milne's phase-amplitude procedure. We compare our semiclassical energies for low-lying states with those of other researchers.
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