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- W2003266482 abstract "Abstract The 104 point CISD Li+3 potential energy surface and its analytical representation is reported. The calculations predict the minimum energy geometry to be an equilateral triangle of side RLiLi = 3.0 A and of energy − 22.20506 Eh. A fifth-order Morse—Dunham type analytical force field is used in the Carney—Porter normal co-ordinate vibrational Hamiltonian, the corresponding eigenvalue problem being solved variationally using a 560 configurational finite-element basis set. The predicted assignment of the vibrational band origins is in accord with that reported for H+3. Moreover, for 6Li+3 and 7Li+3 the lowest i.r. accessible band origin is the ν 0,1,±1 predicted to be at 243.6 and 226.0 cm−1 respectively." @default.
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- W2003266482 title "Potential energy surface and vibrational band origins of the triatomic lithium cation" @default.
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