dorsal/arxiv
View SchemaHigh accuracy results for the energy levels of the molecular ions H2+, D2+ and HD+, up to J=2
| Authors | Jean-Philippe Karr, Laurent Hilico |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/0701139 |
| URL | https://arxiv.org/abs/quant-ph/0701139 |
| DOI | 10.1088/0953-4075/39/8/024 |
| Journal | Journal of Physics B: Atomic, Molecular and Optical Physics 39, 2095 (2006) |
Abstract
We present a nonrelativistic calculation of the rotation-vibration levels of the molecular ions H2+, D2+ and HD+, relying on the diagonalization of the exact three-body Hamiltonian. The J=2 levels are obtained with a very high accuracy of 10^{-14} a.u. (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 H2+ and D2+ 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.
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"abstract": "We present a nonrelativistic calculation of the rotation-vibration levels of\nthe molecular ions H2+, D2+ and HD+, relying on the diagonalization of the\nexact three-body Hamiltonian. The J=2 levels are obtained with a very high\naccuracy of 10^{-14} a.u. (for most levels) representing an improvement by five\norders of magnitude over previous calculations. The accuracy is also improved\nfor the J=1 levels of H2+ and D2+ with respect to earlier works. Moreover, we\nhave computed the sensitivities of the energy levels with respect to the mass\nratios, allowing these levels to be used for metrological purposes.",
"arxiv_id": "quant-ph/0701139",
"authors": [
"Jean-Philippe Karr",
"Laurent Hilico"
],
"categories": [
"quant-ph"
],
"doi": "10.1088/0953-4075/39/8/024",
"journal_ref": "Journal of Physics B: Atomic, Molecular and Optical Physics 39,\n 2095 (2006)",
"title": "High accuracy results for the energy levels of the molecular ions H2+, D2+ and HD+, up to J=2",
"url": "https://arxiv.org/abs/quant-ph/0701139"
},
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