dc.creator Porto, S. P. S. en_US dc.creator Lambert, Mrs. C. A. en_US dc.date.accessioned 2006-06-15T13:12:07Z dc.date.available 2006-06-15T13:12:07Z dc.date.issued 1963 en_US dc.identifier 1963-G-6 en_US dc.identifier.uri http://hdl.handle.net/1811/8235 dc.description Author Institution: BELL Telephone Laboratories Incorporated en_US dc.description.abstract “The existent potential functions for diatomic molecules fall into two general categories: the sprits expansions or the closed exponential functions, with adjustable constants. We want to propose a new type of curve, with three adjustable parameters K, A, B: $$V(r) = K \left( \frac{A}{r^{2}} \tan \frac{\pi}{2 + r^{4}} - \frac{\pi}{1 + \frac{r^{2}}{B}} \sin \frac{\pi}{1 + \frac{r^{2}}{B}}\right)$$ where r is the interatomic distance. This kind of function meets all the requirements for the usual potential function including its behaviour for $r \rightarrow 0$ and $r \rightarrow \infty$. If one tries to fit this kind of a function to a Kolos and Roothaan potential curve for the ground State of $H_{2}$ it is necessary, for a good fit, to introduce a second attraction term: $$V(r) = K \left( \frac{A}{r^{2}} \tan \frac{\pi}{2 + r^{4}} - \frac{\pi}{1 + \frac{r^{2}}{B}} \sin \frac{\pi}{1 + \frac{r^{2}}{B}} - D \frac{\pi}{1 + \frac{r^{2}}{C}} \sin \frac{\pi}{1 + \frac{r^{2}}{C}}\right)$$ The advantages and disadvantages of such three and five constants potential functions will be discussed.” en_US dc.format.extent 84025 bytes dc.format.mimetype image/jpeg dc.language.iso English en_US dc.publisher Ohio State University en_US dc.title AN ANALYTICAL EXPRESSION FOR THE POTENTIAL CURVE OF $H_{2}$ en_US dc.type article en_US
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