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Interatomic potential. Typical shape of an interatomic pair potential. Interatomic potentials are mathematical functions to calculate the potential energy of a system of atoms with given positions in space. [1][2][3][4] Interatomic potentials are widely used as the physical basis of molecular mechanics and molecular dynamics simulations in ...
e. In physics, potential energy is the energy held by an object because of its position relative to other objects, stresses within itself, its electric charge, or other factors. [1][2] The term potential energy was introduced by the 19th-century Scottish engineer and physicist William Rankine, [3][4][5] although it has links to the ancient ...
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.
Overview. The Lennard-Jones potential is a simplified model that yet describes 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.
Potential energy surface. A potential energy surface (PES) or energy landscape describes the energy of a system, especially a collection of atoms, in terms of certain parameters, normally the positions of the atoms. The surface might define the energy as a function of one or more coordinates; if there is only one coordinate, the surface is ...
Chemical potential energy is a form of potential energy related to the structural arrangement of atoms or molecules. This arrangement may be the result of chemical bonds within a molecule or interactions between them. Chemical energy of a chemical substance can be transformed to other forms of energy by a chemical reaction.
Molecular mechanics potential energy function with continuum solvent. The basic functional form of potential energy for modeling molecular systems includes intramolecular interaction terms for interactions of atoms that are linked by covalent bonds and intermolecular (i.e. nonbonded also termed noncovalent) terms that describe the long-range electrostatic and van der Waals forces.
Kinetic theory of gases. The temperature of the ideal gas is proportional to the average kinetic energy of its particles. The size of helium atoms relative to their spacing is shown to scale under 1,950 atmospheres of pressure. The atoms have an average speed relative to their size slowed down here two trillion fold from that at room temperature.
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