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The Morse potential, named after physicist Philip M. Morse, is a convenient interatomic interaction model for the potential energy of a diatomic molecule.It is a better approximation for the vibrational structure of the molecule than the quantum harmonic oscillator because it explicitly includes the effects of bond breaking, such as the existence of unbound states.
The Morse/Long-range potential (MLR potential) is an interatomic interaction model for the potential energy of a diatomic molecule. Due to the simplicity of the regular Morse potential (it only has three adjustable parameters), it is very limited in its applicability in modern spectroscopy .
Interatomic potential; Bond order potential; EAM potential; Coulomb potential; Buckingham potential; Lennard-Jones potential; Morse potential; Morse/Long-range potential; Rosen–Morse potential; Trigonometric Rosen–Morse potential; Stockmayer potential; Pöschl–Teller potential; Axilrod–Teller potential; Mie potential
The Morse potential has been applied to studies of molecular vibrations and solids, [22] and also inspired the functional form of more accurate potentials such as the bond-order potentials. Ionic materials are often described by a sum of a short-range repulsive term, such as the Buckingham pair potential , and a long-range Coulomb potential ...
a parallelism that explains the potential's name. The most prominent application concerns the (+,,) parametrization, with non-negative integer, and is due to Schrödinger [3] who intended to formulate the hydrogen atom problem on Albert Einstein's closed universe, , the direct product of a time line with a three-dimensional closed space of positive constant curvature, the hypersphere, and ...
The Morse potential (blue) and harmonic oscillator potential (green). The potential at infinite internuclear distance is the dissociation energy for pure vibrational spectra. For vibronic spectra there are two potential curves (see Figure at right), and the dissociation limit is the upper state energy at infinite distance.
The Lennard-Jones potential is a simple model that still manages to describe the essential features of interactions between simple atoms and molecules: Two interacting particles repel each other at very close distance, attract each other at moderate distance, and eventually stop interacting at infinite distance, as shown in the Figure.
The potential wells are shown favoring transitions with changes in ν. The Franck-Condon principle describes the intensities of vibronic transitions, or the absorption or emission of a photon. It states that when a molecule is undergoing an electronic transition, such as ionization, the nuclear configuration of the molecule experiences no ...