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Application of the generalized potential energy function for solving the inverse spectroscopic problem: the ground-state potential of SiF+

✍ Scribed by A.A. Šurkus

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
399 KB
Volume
180
Category
Article
ISSN
0009-2614

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✦ Synopsis

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+ yields the experimental value of dissociation energy, has no nonphysical maximum, has a qualitatively correct R-' behavior, and is more. accurate than the Simons-Parr-Finlan, Thakkar, Ogilvie-Tipping and Huffaker (PMO) potentials calculated from the same set of molecular constants.

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