First principles determination of the photoelectron spectrum of LiH−
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An extensive first principles determination of the photoelectron spectrum of LiH-and LiD-was performed. As a result, a long-standing discrepancy between the experimentally determined and theoretically calculated values for ωeof LiH-was resolved by a reassignment of the hot band transition region of the photoelectron spectrum.
author list (cited authors)
Chang, D. T., Reimann, K., Surratt, G., Gellene, G. I., Lin, P., & Lucchese, R. R.