Search results
Results From The WOW.Com Content Network
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 .
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 ...
Part of force field of ethane for the C-C stretching bond. In the context of chemistry, molecular physics, physical chemistry, and molecular modelling, a force field is a computational model that is used to describe the forces between atoms (or collections of atoms) within molecules or between molecules as well as in crystals.
Molecular mechanics potential energy function with continuum solvent. The following functional abstraction, termed an interatomic potential function or force field in chemistry, calculates the molecular system's potential energy (E) in a given conformation as a sum of individual energy terms.
An example is the Morse/Long-range potential. It is helpful to use the analogy of a landscape: for a system with two degrees of freedom (e.g. two bond lengths), the value of the energy (analogy: the height of the land) is a function of two bond lengths (analogy: the coordinates of the position on the ground).
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 ...
where α is an exponent specific to the system (e.g. in the absence of a potential field, α = 3/2), z is exp(μ/k B T) where μ is the chemical potential, Li is the polylogarithm, ζ is the Riemann zeta function, and T c is the critical temperature at which a Bose–Einstein condensate begins to form.