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  2. Potential energy surface - Wikipedia

    en.wikipedia.org/wiki/Potential_energy_surface

    Energy profiles describe potential energy as a function of geometrical variables (PES in any dimension are independent of time and temperature). H+H2 Potential energy surface. We have different relevant elements in the 2-D PES: The 2-D plot shows the minima points where we find reactants, the products and the saddle point or transition state.

  3. Effective potential - Wikipedia

    en.wikipedia.org/wiki/Effective_potential

    The effective potential (also known as effective potential energy) combines multiple, perhaps opposing, effects into a single potential. In its basic form, it is the sum of the 'opposing' centrifugal potential energy with the potential energy of a dynamical system .

  4. Lennard-Jones potential - Wikipedia

    en.wikipedia.org/wiki/Lennard-Jones_potential

    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.

  5. WKB approximation - Wikipedia

    en.wikipedia.org/wiki/WKB_approximation

    The important contribution of Jeffreys, Wentzel, Kramers, and Brillouin to the method was the inclusion of the treatment of turning points, connecting the evanescent and oscillatory solutions at either side of the turning point. For example, this may occur in the Schrödinger equation, due to a potential energy hill.

  6. Quantum tunnelling - Wikipedia

    en.wikipedia.org/wiki/Quantum_tunnelling

    In both cases it is apparent from the denominator that both these approximate solutions are bad near the classical turning points = (). Away from the potential hill, the particle acts similar to a free and oscillating wave; beneath the potential hill, the particle undergoes exponential changes in amplitude.

  7. Energy profile (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Energy_profile_(chemistry)

    A point may be local minimum when it is lower in energy compared to its surrounding only or a global minimum which is the lowest energy point on the entire potential energy surface. Saddle point represents a maximum along only one direction (that of the reaction coordinate) and is a minimum along all other directions. In other words, a saddle ...

  8. Morse potential - Wikipedia

    en.wikipedia.org/wiki/Morse_potential

    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.

  9. Potential energy - Wikipedia

    en.wikipedia.org/wiki/Potential_energy

    Potential energy is the energy by virtue of an object's position relative to other objects. [6] Potential energy is often associated with restoring forces such as a spring or the force of gravity. The action of stretching a spring or lifting a mass is performed by an external force that works against the force field of the potential.