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Virial theorem. In statistical mechanics, the virial theorem provides a general equation that relates the average over time of the total kinetic energy of a stable system of discrete particles, bound by a conservative force (where the work done is independent of path) with that of the total potential energy of the system.
Equation of state. In physics and chemistry, an equation of state is a thermodynamic equation relating state variables, which describe the state of matter under a given set of physical conditions, such as pressure, volume, temperature, or internal energy. [1] Most modern equations of state are formulated in the Helmholtz free energy.
The virial expansion is a model of thermodynamic equations of state. It expresses the pressure P of a gas in local equilibrium as a power series of the density. This equation may be represented in terms of the compressibility factor, Z, as This equation was first proposed by Kamerlingh Onnes. [1] The terms A, B, and C represent the virial ...
Virial coefficients appear as coefficients in the virial expansion of the pressure of a many-particle system in powers of the density, providing systematic corrections to the ideal gas law. They are characteristic of the interaction potential between the particles and in general depend on the temperature. The second virial coefficient depends ...
Calculus is the mathematical study of continuous change, in the same way that geometry is the study of shape, and algebra is the study of generalizations of arithmetic operations. Originally called infinitesimal calculus or "the calculus of infinitesimals ", it has two major branches, differential calculus and integral calculus.
In statistical mechanics, the radial distribution function, (or pair correlation function) in a system of particles (atoms, molecules, colloids, etc.), describes how density varies as a function of distance from a reference particle. If a given particle is taken to be at the origin O, and if is the average number density of particles, then the ...
The graph of a function, drawn in black, and a tangent line to that function, drawn in red. The slope of the tangent line equals the derivative of the function at the marked point. In mathematics, differential calculus is a subfield of calculus that studies the rates at which quantities change. [1] It is one of the two traditional divisions of ...
The most common application of the Hellmann–Feynman theorem is the calculation of intramolecular forces in molecules. This allows for the calculation of equilibrium geometries – the nuclear coordinates where the forces acting upon the nuclei, due to the electrons and other nuclei, vanish. The parameter corresponds to the coordinates of the ...
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