For accurate reproduction of vibrational spectra, the Morse potential can be used instead, at computational cost.
2.
The resulting three-dimensional potential can be modeled as a corrugated Morse potential as [ 4 ]:
3.
A more realistic description of a covalent bond at higher stretching is provided by the more expensive Morse potential.
4.
The MLR potential is based on the classic Morse potential which was first introduced in 1929 by Philip M . Morse.
5.
Physical chemists often model Hooke's Law and acts as a good approximation of the Morse potential that accurately describes bonding.
6.
When it is used to model the atom-surface interaction, the energy zero can be redefined so that the Morse potential becomes
7.
An important extension of the Morse potential that made the Morse form very useful for modern spectroscopy is the MLR ( Morse / Long-range ) potential.
8.
Since the zero of potential energy is arbitrary, the equation for the Morse potential can be rewritten any number of ways by adding or subtracting a constant value.
9.
This failure is due to the " finite " number of bound levels in the Morse potential, and some maximum v _ m that remains bound.
10.
To write the stationary states on the Morse potential, i . e . solutions \ Psi ( v ) and E ( v ) of the following Schr�dinger equation:
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