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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.
Another class of machine-learned interatomic potential is the Gaussian approximation potential (GAP), [87] [88] [89] which combines compact descriptors of local atomic environments [90] with Gaussian process regression [91] to machine learn the potential energy surface of a given system.
The gravitational potential (V) at a location is the gravitational potential energy (U) at that location per unit mass: =, where m is the mass of the object. Potential energy is equal (in magnitude, but negative) to the work done by the gravitational field moving a body to its given position in space from infinity.
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.
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 called a potential energy ...
A thermodynamic potential (or more accurately, a thermodynamic potential energy) [1] [2] is a scalar quantity used to represent the thermodynamic state of a system. Just as in mechanics , where potential energy is defined as capacity to do work, similarly different potentials have different meanings.
The pseudopotential is an attempt to replace the complicated effects of the motion of the core (i.e. non-valence) electrons of an atom and its nucleus with an effective potential, or pseudopotential, so that the Schrödinger equation contains a modified effective potential term instead of the Coulombic potential term for core electrons normally found in the Schrödinger equation.
For two pairwise interacting point particles, the gravitational potential energy is the work that an outside agent must do in order to quasi-statically bring the masses together (which is therefore, exactly opposite the work done by the gravitational field on the masses): = = where is the displacement vector of the mass, is gravitational force acting on it and denotes scalar product.