Potentials Kratzer

For the Kratzer potential, which is quadratic in the variable (r - re)/r, the eigenvalues for / 0 can be obtained in closed form. This is also the case for the potential quadratic in (r-r2/r) (Gol dman et al., 1960). This potential does not, however, tend to a finite value as r —> oo. 

Van Hooydonk G (1999) A universal two-parameter Kratzer potential and its superiority over Morse s for calculating and scaling first-order spectroscopic constants of 300 diatomic bonds. Eur J Inorg Chem 1617-1642... 

The case m = 1 has a special interest, because C/i(/ ) is the so-called Kratzer-Fues (or simply, Fues) potential, for which the Schrbdinger equation, Eq. (15), is solved exactly, and the exact eigenvalues have the following form (Stettler and Shatas, 1971) ... 

The potential energy curve concept provides many self-consistency checks between molecular constants, for example, the Kratzer relation,... 

In order to construct a harmonic or Morse potential from spectroscopic data, respectively, two (Re and k) or three (De,Re, and j3) independent constants must be determined. The usual routes to these constants, through Be,uje, and wexe, are often impassable and it is necessary to exploit special relationships, two of the most useful of which are due to Kratzer (Kratzer, 1920),... 

Wilding, B., Winkler, M., Petschacher, B., Kratzer, R., Glieder, A., and Klempier, N. (2012) Nitrile reductase from Geobacillus kaustophilus a potential catalyst for a new nitrile biotransformation reaction. Adv. Synth. Catal., 354, 2191-2198. 

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