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- W2016332097 abstract "In this paper, we have computed the rovibrational spectrum of the H3+ molecule using a new global potential energy surface, invariant under all permutations of the nuclei, that includes the long range electrostatic interactions analytically. The energy levels are obtained by a variational calculation using hyperspherical coordinates. From the comparison with available experimental results for low lying levels, we conclude that our accuracy is of the order of 0.1cm−1 for states localized in the vicinity of equilateral triangular configurations of the nuclei, and changes to the order of 1cm−1 when the system is distorted away from equilateral configurations. Full rovibrational spectra up to the H++H2 dissociation energy limit have been computed. The statistical properties of this spectrum (nearest neighbor distribution and spectral rigidity) show the quantum signature of classical chaos and are consistent with random matrix theory. On the other hand, the correlation function, even when convoluted with a smoothing function, exhibits oscillations which are not described by random matrix theory. We discuss a possible similarity between these oscillations and the ones observed experimentally." @default.
- W2016332097 created "2016-06-24" @default.
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- W2016332097 date "2008-08-27" @default.
- W2016332097 modified "2023-10-16" @default.
- W2016332097 title "The H3+ rovibrational spectrum revisited with a global electronic potential energy surface" @default.
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- W2016332097 doi "https://doi.org/10.1063/1.2973629" @default.
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