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37 relations: Charge density, Computational chemistry, Computer, Computer simulation, Conditional convergence, Convergent series, Convolution, Coulomb's law, Dirac delta function, Electrostatics, Fast Fourier transform, Fast multipole method, Force, Fourier transform, Frequency domain, Galaxy, Gravity, Inverse-square law, Ionic crystal, Journal of Chemical Theory and Computation, Lennard-Jones potential, Madelung constant, Molecular dynamics, Molecular modelling, Molecule, Normal distribution, Parallelepiped, Parseval's theorem, Paul Peter Ewald, Periodic boundary conditions, Plasma (physics), Poisson summation formula, Potential, Singularity (mathematics), Theoretical physics, Time complexity, Wolf summation.
Charge density
In electromagnetism, charge density is a measure of the amount of electric charge per unit length, surface area, or volume.
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Computational chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems.
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Computer
A computer is a device that can be instructed to carry out sequences of arithmetic or logical operations automatically via computer programming.
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Computer simulation
Computer simulation is the reproduction of the behavior of a system using a computer to simulate the outcomes of a mathematical model associated with said system.
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Conditional convergence
In mathematics, a series or integral is said to be conditionally convergent if it converges, but it does not converge absolutely.
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Convergent series
In mathematics, a series is the sum of the terms of an infinite sequence of numbers.
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Convolution
In mathematics (and, in particular, functional analysis) convolution is a mathematical operation on two functions (f and g) to produce a third function, that is typically viewed as a modified version of one of the original functions, giving the integral of the pointwise multiplication of the two functions as a function of the amount that one of the original functions is translated.
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Coulomb's law
Coulomb's law, or Coulomb's inverse-square law, is a law of physics for quantifying the amount of force with which stationary electrically charged particles repel or attract each other.
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Dirac delta function
In mathematics, the Dirac delta function (function) is a generalized function or distribution introduced by the physicist Paul Dirac.
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Electrostatics
Electrostatics is a branch of physics that studies electric charges at rest.
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Fast Fourier transform
A fast Fourier transform (FFT) is an algorithm that samples a signal over a period of time (or space) and divides it into its frequency components.
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Fast multipole method
The fast multipole method (FMM) is a numerical technique that was developed to speed up the calculation of long-ranged forces in the ''n''-body problem.
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Force
In physics, a force is any interaction that, when unopposed, will change the motion of an object.
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Fourier transform
The Fourier transform (FT) decomposes a function of time (a signal) into the frequencies that make it up, in a way similar to how a musical chord can be expressed as the frequencies (or pitches) of its constituent notes.
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Frequency domain
In electronics, control systems engineering, and statistics, the frequency domain refers to the analysis of mathematical functions or signals with respect to frequency, rather than time.
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Galaxy
A galaxy is a gravitationally bound system of stars, stellar remnants, interstellar gas, dust, and dark matter.
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Gravity
Gravity, or gravitation, is a natural phenomenon by which all things with mass or energy—including planets, stars, galaxies, and even light—are brought toward (or gravitate toward) one another.
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Inverse-square law
The inverse-square law, in physics, is any physical law stating that a specified physical quantity or intensity is inversely proportional to the square of the distance from the source of that physical quantity.
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Ionic crystal
An ionic crystal is a crystal consisting of ions bound together by their electrostatic attraction.
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Journal of Chemical Theory and Computation
The Journal of Chemical Theory and Computation is a peer-reviewed scientific journal, established in 2005 by the American Chemical Society.
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Lennard-Jones potential
The Lennard-Jones potential (also termed the L-J potential, 6-12 potential, or 12-6 potential) is a mathematically simple model that approximates the interaction between a pair of neutral atoms or molecules.
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Madelung constant
The Madelung constant is used in determining the electrostatic potential of a single ion in a crystal by approximating the ions by point charges.
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Molecular dynamics
Molecular dynamics (MD) is a computer simulation method for studying the physical movements of atoms and molecules.
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Molecular modelling
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules.
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Molecule
A molecule is an electrically neutral group of two or more atoms held together by chemical bonds.
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Normal distribution
In probability theory, the normal (or Gaussian or Gauss or Laplace–Gauss) distribution is a very common continuous probability distribution.
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Parallelepiped
In geometry, a parallelepiped is a three-dimensional figure formed by six parallelograms (the term rhomboid is also sometimes used with this meaning).
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Parseval's theorem
In mathematics, Parseval's theorem usually refers to the result that the Fourier transform is unitary; loosely, that the sum (or integral) of the square of a function is equal to the sum (or integral) of the square of its transform.
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Paul Peter Ewald
Paul Peter Ewald, FRS (January 23, 1888 in Berlin, Germany – August 22, 1985 in Ithaca, New York) was a German crystallographer and physicist, a pioneer of X-ray diffraction methods.
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Periodic boundary conditions
Periodic boundary conditions (PBCs) are a set of boundary conditions which are often chosen for approximating a large (infinite) system by using a small part called a unit cell.
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Plasma (physics)
Plasma (Henry George Liddell, Robert Scott, A Greek English Lexicon, on Perseus) is one of the four fundamental states of matter, and was first described by chemist Irving Langmuir in the 1920s.
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Poisson summation formula
In mathematics, the Poisson summation formula is an equation that relates the Fourier series coefficients of the periodic summation of a function to values of the function's continuous Fourier transform.
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Potential
Potential generally refers to a currently unrealized ability.
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Singularity (mathematics)
In mathematics, a singularity is in general a point at which a given mathematical object is not defined, or a point of an exceptional set where it fails to be well-behaved in some particular way, such as differentiability.
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Theoretical physics
Theoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain and predict natural phenomena.
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Time complexity
In computer science, the time complexity is the computational complexity that describes the amount of time it takes to run an algorithm.
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Wolf summation
The Wolf summation is a method for computing the electrostatic interactions of systems (e.g. crystals).
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Ewald Sum, Ewald sum, Particle Mesh Ewald, Particle mesh Ewald.
References
[1] https://en.wikipedia.org/wiki/Ewald_summation
