dorsal/arxiv
View SchemaWei Hua's Four Parameter Potential Comments and Computation of Moleculer Constants \alpha_e and \omega_e x_e
| Authors | Sarvpreet Kaur, C. G. Mahajan |
|---|---|
| Categories | |
| ArXiv ID | physics/9803007 |
| URL | https://arxiv.org/abs/physics/9803007 |
| DOI | 10.1007/BF02830107 |
Abstract
The value of adjustable parameter $C$ and the four-parameter potential $U(r) = D_{e}\left [ \frac{1-{exp}[-b(r-r_{e})]}{1-C{exp} [-b(r-r_{e})]} \right ]^{2}$ has been expressed in terms of molecular parameters and its significance has been brought out. The potential so constructed, with $C$ derived from the molecular parameters, has been applied to ten electronic states in addition to the states studied by Wei Hua. Average mean deviation has been found to be 3.47 as compared to 6.93, 6.95 and 9.72 obtained from Levine2, Varshni and Morse potentials, respectively. Also Dunham's method has been used to express rotation-vibration interaction constant $(\alpha_{e})$ and anharmonocity constant $(\omega_{e}x_{e})$ in terms of $C$ and other molecular constants. These relations have been employed to determine these quantities for 37 electronic states. For $\alpha_{e}$, the average mean deviation is 7.2% compared to 19.7% for Lippincott's potential which is known to be the best to predict the values. Average mean deviation for $(\omega_{e}x_{e})$ turns out to be 17.4% which is almost the same as found from Lippincott's potential function.
{
"annotation_id": "bfe817cf-e7d3-4a6f-b39e-10c0ea395bdb",
"date_created": "2026-03-02T18:01:21.227000Z",
"date_modified": "2026-03-02T18:01:21.227000Z",
"file_hash": "cea50259d659b11c51fb12bccfe7524ce03db59519dcfd7e8387a9d0879b71e2",
"private": false,
"record": {
"abstract": "The value of adjustable parameter $C$ and the four-parameter potential $U(r)\n= D_{e}\\left [ \\frac{1-{exp}[-b(r-r_{e})]}{1-C{exp} [-b(r-r_{e})]} \\right\n]^{2}$ has been expressed in terms of molecular parameters and its significance\nhas been brought out. The potential so constructed, with $C$ derived from the\nmolecular parameters, has been applied to ten electronic states in addition to\nthe states studied by Wei Hua. Average mean deviation has been found to be 3.47\nas compared to 6.93, 6.95 and 9.72 obtained from Levine2, Varshni and Morse\npotentials, respectively. Also Dunham\u0027s method has been used to express\nrotation-vibration interaction constant $(\\alpha_{e})$ and anharmonocity\nconstant $(\\omega_{e}x_{e})$ in terms of $C$ and other molecular constants.\nThese relations have been employed to determine these quantities for 37\nelectronic states. For $\\alpha_{e}$, the average mean deviation is 7.2%\ncompared to 19.7% for Lippincott\u0027s potential which is known to be the best to\npredict the values. Average mean deviation for $(\\omega_{e}x_{e})$ turns out to\nbe 17.4% which is almost the same as found from Lippincott\u0027s potential\nfunction.",
"arxiv_id": "physics/9803007",
"authors": [
"Sarvpreet Kaur",
"C. G. Mahajan"
],
"categories": [
"physics.atom-ph"
],
"doi": "10.1007/BF02830107",
"title": "Wei Hua\u0027s Four Parameter Potential Comments and Computation of Moleculer Constants \\alpha_e and \\omega_e x_e",
"url": "https://arxiv.org/abs/physics/9803007"
},
"schema_id": "dorsal/arxiv",
"source": {
"execution_id": "c8c94ba4-e4e3-42f9-ad91-c48e669ea1f3",
"id": "arXiv Dataset IDs",
"type": "Model",
"variant": "snapshot-2026-03-01",
"version": "0.1.0"
},
"user_id": 1000002
}