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Free-energy perturbation (FEP) is a method based on statistical mechanics that is used in computational chemistry for computing free-energy differences from molecular dynamics or Metropolis Monte Carlo simulations. The FEP method was introduced by Robert W. Zwanzig in 1954. [1]
Continuous charge distribution. The volume charge density ρ is the amount of charge per unit volume (cube), surface charge density σ is amount per unit surface area (circle) with outward unit normal nĚ‚, d is the dipole moment between two point charges, the volume density of these is the polarization density P.
In physics, there are equations in every field to relate physical quantities to each other and perform calculations. Entire handbooks of equations can only summarize most of the full subject, else are highly specialized within a certain field. Physics is derived of formulae only.
The Crank–Nicolson stencil for a 1D problem. The Crank–Nicolson method is based on the trapezoidal rule, giving second-order convergence in time.For linear equations, the trapezoidal rule is equivalent to the implicit midpoint method [citation needed] —the simplest example of a Gauss–Legendre implicit Runge–Kutta method—which also has the property of being a geometric integrator.
Bernoulli's equation; Bogoliubov–Born–Green–Kirkwood–Yvon hierarchy of equations; Bessel's differential equation; Boltzmann equation; Borda–Carnot equation; Burgers' equation; Darcy–Weisbach equation; Dirac equation. Dirac equation in the algebra of physical space; Dirac–Kähler equation; Doppler equations; Drake equation (aka ...
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A formula editor is a computer program that is used to typeset mathematical formulas and mathematical expressions. Formula editors typically serve two purposes: They allow word processing and publication of technical content either for print publication, or to generate raster images for web pages or screen presentations.
These include differential equations, manifolds, Lie groups, and ergodic theory. [4] This article gives a summary of the most important of these. This article lists equations from Newtonian mechanics, see analytical mechanics for the more general formulation of classical mechanics (which includes Lagrangian and Hamiltonian mechanics).