Renner-Teller effect in linear tetra-atomic molecules. II. Rovibronic levels analysis of the X2Πu electronic state of HCCH+

Abstract : The variational approach detailed in the previous paper Paper I for the treatment of the Renner-Teller effect in linear tetra-atomic molecules including all degrees of freedom and couplings between angular momenta is applied for HCCH+. The accurate six-dimensional potential energy surfaces of the X 2 Piu electronic state, presented in Paper I is incorporated in the variational treatment in order to obtain all rovibronic levels including the spin-orbit coupling for 1/2
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Submitted on : Tuesday, July 10, 2012 - 8:08:08 AM
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L. Jutier, Céline Léonard, F. Gatti. Renner-Teller effect in linear tetra-atomic molecules. II. Rovibronic levels analysis of the X2Πu electronic state of HCCH+. Journal of Chemical Physics, American Institute of Physics, 2009, 130 (13), pp.134302. ⟨10.1063/1.3089356⟩. ⟨hal-00716141⟩

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