Test of the adiabatic approximation for
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Hubert Romanowski; Joel M. Bowman
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Article
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1984
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Elsevier Science
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English
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The adiabatic approximation for vibrational energies of three-mode IlaO is tested against accurate vibratiowl selfconststcnt field plus configuration interaction calculations. As formulated and applied in normal coordinates, the approxh is to couple the two high-frequency stretching modes exactly fo