论文信息 - High accuracy results for the energy levels of the molecular ions H+2, D+2 and HD+, up to J = 2

High accuracy results for the energy levels of the molecular ions H+2, D+2 and HD+, up to J = 2

We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H+2, D+2 and HD+, relying on the diagonalization of the exact three-body Hamiltonian in a variational basis. The J = 2 levels are obtained with a very high accuracy of 10−14 au (for most levels) representing an improvement by five orders of magnitude over previous calculations. The accuracy is also improved for the J = 1 levels of H+2 and D+2 with respect to earlier works. Moreover, we have computed the sensitivities of the energy levels with respect to the mass ratios, allowing these levels to be used for metrological purposes.

J. Karr | L. Hilico

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