dorsal/arxiv
View SchemaAll bound states of NO_2 (J=0)
| Authors | R. F. Salzgeber, V. Mandelshtam, Ch. Schlier, H. S. Taylor |
|---|---|
| Categories | |
| ArXiv ID | quant-ph/9712024 |
| URL | https://arxiv.org/abs/quant-ph/9712024 |
Abstract
We calculated all 2967 even and odd bound states of the adiabatic ground state of NO_2, using a modification of the ab initio potential energy surface of Leonardi et al. [J. Chem. Phys. 105, 9051 (1996)]. The calculation was performed by harmonic inversion of the Chebyshev correlation function generated by a DVR Hamiltonian in Radau coordinates. The relative error for the computed eigenenergies is $10^{-4}$ or better. Near the dissociation threshold the density of states is about 0.3cm$^{-1}$. Statistical analysis of the states shows some interesting structure of the rigidity parameter $\Delta_3$ as a function of energy.
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"abstract": "We calculated all 2967 even and odd bound states of the adiabatic ground\nstate of NO_2, using a modification of the ab initio potential energy surface\nof Leonardi et al. [J. Chem. Phys. 105, 9051 (1996)]. The calculation was\nperformed by harmonic inversion of the Chebyshev correlation function generated\nby a DVR Hamiltonian in Radau coordinates. The relative error for the computed\neigenenergies is $10^{-4}$ or better. Near the dissociation threshold the\ndensity of states is about 0.3cm$^{-1}$. Statistical analysis of the states\nshows some interesting structure of the rigidity parameter $\\Delta_3$ as a\nfunction of energy.",
"arxiv_id": "quant-ph/9712024",
"authors": [
"R. F. Salzgeber",
"V. Mandelshtam",
"Ch. Schlier",
"H. S. Taylor"
],
"categories": [
"quant-ph"
],
"title": "All bound states of NO_2 (J=0)",
"url": "https://arxiv.org/abs/quant-ph/9712024"
},
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