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Long-range properties of the generalized potential energy function for diatomic molecules. Application to the ground state of SiF+

✍ Scribed by A.A. Šurkus

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
560 KB
Volume
197
Category
Article
ISSN
0009-2614

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✦ Synopsis

The properties of the long-range part of the previously suggested generalized potential energy function and Coulomb-subtracted generalized potential energy function have been investigated. It is demonstrated that these empirical functions can correctly reproduce the long-range part of the diatomic potential, if certain relationships connecting the parameters of the functions are realized. The ground-state potential of SiF+ with correct long-range behavior has been calculated with the help of derived relationships. The generalized potential energy function obtained for SiF+ contains eleven parameters, yields the experimental value of the dissociation energy, reproduces the dispersion coefficient C, and the set of molecular constants R, B,, w, and a, (i= 1, . . . . 3).

📜 SIMILAR VOLUMES

Application of the generalized potential
Application of the generalized potential energy function for solving the inverse spectroscopic problem: the ground-state potential of SiF+
✍ A.A. Šurkus 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 399 KB

The previously suggested generalized potential energy function (GPEF) is used for calculation of the X 'E+ state potential curve of SiF+ from the molecular constants. The procedure of the calculations is based on the optimization of nonlinear parameters p and n of GPEF. The obtained GPEF for SiF+ yi