Journal Article10.1063/1.1733279
Realistic Diatomic Potential Function
65
TL;DR: In this article, the potential energy function of the rotating vibrator has been examined using the Rydberg-Klein-Rees method and a suitable form for the potential function has been proposed.
read more
Abstract: An examination of recently published data for diatomic molecules as obtained by the Rydberg—Klein—Rees method has suggested a useful form for the potential‐energy function. This form provides an inverse‐power dependence at large distance and an extrapolation to infinity at the extreme of close approach. Relations are given to permit an arbitrarily close fit of observed spectroscopic constants. Theoretical formulas covering seven new Ylj's of the Dunham—Sandeman series for the rotating vibrator are included. Potential curves for H2 and HF are shown as examples, including effects of previously determined higher‐order spectroscopic constants. Other applications of the new potential are also discussed.
read more
Chat with Paper
AI Agents for this Paper
Find similar papers on Google Scholar, PubMed and Arxiv
Write a critical review of this paper
Analyze citations of this paper to find unaddressed research gaps
Citations
Determination of diatomic molecular constants using an inverted perturbation approach: Application to the A1Σu+-X1Σg+ system of Mg2
C. R. Vidal,H. Scheingraber +1 more
TL;DR: In this paper, a least square fit of the experimental term values to the calculated quantum mechanical energy eigenvalues of a rotating vibrator has been provided, which is based on an inverted perturbation approach.
209
The B1Πu–X1Σg+ band system of the 7Li2 molecule
Merrill M. Hessel,C. R. Vidal +1 more
TL;DR: In this paper, the absorption and laser induced fluorescence spectra of the B1Πu-X1Σg+ band system of the 7Li2 molecule have been photographed at high resolution (360 000) and high dispersion (0.4 A/mm).
202
A new generalized expansion for the potential energy curves of diatomic molecules
TL;DR: In this article, a generalized expansion for the potential energy curves of diatomic molecules is proposed, where λ (p) = sgn(p) [1 − (Re/R)p], and contains both the Dunham and the Simons−Parr−Finlan (SPF) expansions as special cases corresponding to p = −1 and p = 1, respectively.
124
Calculation of centrifugal distortion constants for diatomic molecules from RKR potentials
TL;DR: In this article, the authors developed expressions for computing the centrifugal distortion constants Dv, Hv, and Lv directly from the Rydberg-Klein-Rees rotationless potential of a diatomic molecule.
109
Diatomic molecules as perturbed Morse oscillators. II. Extension to higher‐order parameters
TL;DR: In this article, the energy levels of a rotating, vibrating diatomic molecule with perturbed Morse-oscillator potential energy were derived from spectral data, where V (r) =Ve [y2+b4y4+b5y5+⋅ ⋅⋆⋎⋉], where y=1−exp [−a (r−re)].
73
References
The Energy Levels of a Rotating Vibrator
TL;DR: In this paper, the energy levels of a rotating vibrator are calculated in considerable detail by means of the Wentzel-Brillouin-Kramers method and a set of correction terms which appear in the earlier members of the equation are determined.
1.8K
Compilation of thermal properties of hydrogen in its various isotopic and ortho-para modifications.
TL;DR: The available thermal data for H2, HD, and D2 in solid, liquid, and gaseous states have been brought together, including the distinctive properties of ortho and para forms of H2 and D1 and numerous equations are presented.
Spectroscopy of Fluorine Flames. I. Hydrogen‐Fluorine Flame and the Vibration‐Rotation Emission Spectrum of HF
TL;DR: In this paper, the rotational and vibrational emission spectrum from a hydrogen fluorine diffusion flame was studied under high dispersion from 3200 cm−1 in the infrared to about 5500 A in the visible.
138
Interactions between Ground State Oxygen Atoms and Molecules: O - O and O (sub2) - O (sub2)
TL;DR: In this paper, the potential energy curves for O2-O2 interactions corresponding to the X 3 Σg−, 1 Δg, 1Σg+, 3 Δu, A 3Σu+, 1 Σu−, B 3 δu− states of O2 have been calculated from spectroscopic data by the Rydberg-Klein-Rees method.