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- W2060954628 abstract "Calculations of total energies of neutral and of singly and doubly ionized ammonia have been performed using restricted Hartree–Fock and complete active space multiconfiguration self-consistent field formalisms. Transition energies and ionization potentials based on energy differences of these calculations are presented and compared with existing experimental and theoretical results. Satellite structure unexplained in the previously published x-ray emission spectra is here explained, based on the new calculations." @default.
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- W2060954628 date "1987-07-15" @default.
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- W2060954628 title "A computational study of the x-ray satellite spectrum of NH3" @default.
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- W2060954628 doi "https://doi.org/10.1063/1.453295" @default.
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