Titlebook: Computational Physics; Simulation of Classi Philipp O.J. Scherer Textbook 20132nd edition Springer Nature Switzerland AG 2013 Error Analysi

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Dielectric constant of nitrous oxide,of thermodynamic averages Monte Carlo methods are very useful which sample the integration volume at randomly chosen points. After summarizing some basic statistics, we discuss algorithms for the generation of pseudo-random numbers with given probability distribution which are essential for all Mont

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Dielectric constant of carbon dioxide,armonic motion of a molecule around its equilibrium structure. Most important are ordinary eigenvalue problems, which involve the solution of a homogeneous system of linear equations with a Hermitian (or symmetric, if real) matrix..Matrices of small dimension can be diagonalized directly by determin

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https://doi.org/10.1007/978-3-540-75506-7scribe a functional relationship between two or more variables by a smooth curve, i.e. to fit a certain model to the data. If uncertainties of the data are negligibly small, an exact fit is possible, for instance with polynomials, spline functions or trigonometric functions. If the uncertainties are

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Dielectric constant of carbon dioxide,s this method works best on a regular grid. Finite volume methods, which are very popular in computational fluid dynamics, take averages over small control volumes and can be easily used with irregular grids. Finite elements and finite volumes belong to the general class of finite element methods wh

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https://doi.org/10.1007/978-3-662-45603-3r. The much more accurate symmetric difference quotient can be used as the corrector step in combination with an explicit Euler predictor step and is often used for the time integration of partial differential equations. Methods with higher error order can be obtained from a Taylor series expansion,

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https://doi.org/10.1007/978-3-662-45603-3istribution. This can be checked in a computer experiment. A 3-dimensional random walk provides a simple statistical model for the configuration of a biopolymer (freely jointed chain). We generate random structures and calculate the gyration tensor, an experimentally observable quantity, which gives