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The potential energy curve of the ground state of lithium, X1Σg+ Li2

✍ Scribed by Andreas A. Zavitsas

Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
156 KB
Volume
221
Category
Article
ISSN
0022-2852

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✦ Synopsis

Seven reported potential energy curves (RKR, IPA, and rotationless) are compared for the ground states of 7 Li 2 , 6 Li 7 Li, and 6 Li 2 . Discrepancies among them, particularly in the repulsive (inner) limb, are evaluated. Irregularities in the behavior of the ''spectroscopic'' parameter b of the Morse function are found with some of them. The ''universal'' potential energy function that produces a priori potentials, without prior knowledge of them [J. Am. Chem. Soc. 113 (1991) 4755], yields a curve that lies generally between the seven spectroscopic potentials over most of their domain. The a priori potential appears as a consensus and is judged to be the best estimate of the potential energy curve of Li 2 . Values of distances obtained from it are presented at the reported energy levels of 7 Li 2 .

📜 SIMILAR VOLUMES

The Potential Energy Function for the X1
The Potential Energy Function for the X1Σ+ Ground State of CO
✍ C.G. Diaz; R.H. Tipping 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 355 KB

By means of a purely quantum mechanical method, we construct an accurate potential energy function for the \(X^{\prime} \Sigma^{+}\)ground electronic state of \(\mathrm{CO}\) from a large set of experimental frequency data for vibration-rotational bands of several isotopic species. We use an analyti