dorsal/arxiv
View SchemaVariational calculations on the hydrogen molecular ion
| Authors | J. M. Taylor, Zong-Chao Yan, A. Dalgarno, J. F. Babb |
|---|---|
| Categories | |
| ArXiv ID | physics/9811043 |
| URL | https://arxiv.org/abs/physics/9811043 |
| DOI | 10.1080/002689799163884 |
| Journal | Molecular Physics, vol.97 (1999), p.25 |
Abstract
We present high-precision non-relativistic variational calculations of bound vibrational-rotational state energies for the $H_2^+$ and $D_2^+$ molecular ions in each of the lowest electronic states of $\Sigma_g$, $\Sigma_u$, and $\Pi_u$ symmetry. The calculations are carried out including coupling between $\Sigma$ and $\Pi$ states but without using the Born-Oppenheimer or any adiabatic approximation. Convergence studies are presented which indicate that the resulting energies for low-lying levels are accurate to about $10^{-13}$. Our procedure accounts naturally for the lambda-doubling of the $\Pi_u$ state.
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"abstract": "We present high-precision non-relativistic variational calculations of bound\nvibrational-rotational state energies for the $H_2^+$ and $D_2^+$ molecular\nions in each of the lowest electronic states of $\\Sigma_g$, $\\Sigma_u$, and\n$\\Pi_u$ symmetry. The calculations are carried out including coupling between\n$\\Sigma$ and $\\Pi$ states but without using the Born-Oppenheimer or any\nadiabatic approximation. Convergence studies are presented which indicate that\nthe resulting energies for low-lying levels are accurate to about $10^{-13}$.\nOur procedure accounts naturally for the lambda-doubling of the $\\Pi_u$ state.",
"arxiv_id": "physics/9811043",
"authors": [
"J. M. Taylor",
"Zong-Chao Yan",
"A. Dalgarno",
"J. F. Babb"
],
"categories": [
"physics.atom-ph",
"physics.chem-ph"
],
"doi": "10.1080/002689799163884",
"journal_ref": "Molecular Physics, vol.97 (1999), p.25",
"title": "Variational calculations on the hydrogen molecular ion",
"url": "https://arxiv.org/abs/physics/9811043"
},
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