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Systematic Estimate Of Binding Energies Of Weakly Bound Diatomic Molecules, Linda L. Vahala, Mark D. Havey
Systematic Estimate Of Binding Energies Of Weakly Bound Diatomic Molecules, Linda L. Vahala, Mark D. Havey
Electrical & Computer Engineering Faculty Publications
There is often insufficient spectroscopic data for a full RKR inversion to yield a potential for weakly bound diatomic molecules. In these cases, parametrized functions such as the Morse or Thakkar potentials may be used to obtain estimates of the binding energy. The Thakkar potential is more flexible, and has been used successfully on some weakly bound systems. In the more usual case, the Thakkar parameter p, which determines long range behavior R-p, is chosen by p=-a1-1, where a1 is the first Dunham coefficient; p is usually noninteger. The authors present …