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 dideuterium oxide, Fourier transformation methods. For real valued even functions the computationally simpler discrete cosine transformation can be applied. Several computer experiments demonstrate the principles of trigonometric interpolation and nonlinear filtering.

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COMMA

https://doi.org/10.1007/978-3-662-45603-3 is applied to a one- or two-dimensional system of interacting spins (Ising model). The thermodynamic average is taken over a set of random configurations. The average magnetization in a magnetic field and the phase transition to the ferromagnetic state are compared with analytical expressions.

DAFT

https://doi.org/10.1007/978-3-662-45603-3sson and Poisson-Boltzmann equations, alternatively the method of boundary elements can be applied, which can reduce the computer time, for instance for solvation models. A computer experiment simulates a point charge within a spherical cavity and calculates the solvation energy with the boundary element method.

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BACLE

Eigenvalue Problemsich can be diagonalized efficiently with the . algorithm. Certain tridiagonal matrices can be diagonalized analytically. Special algorithms are available for matrices of very large dimension, for instance the famous Lanczos method.

FER

Thermodynamic Systems is applied to a one- or two-dimensional system of interacting spins (Ising model). The thermodynamic average is taken over a set of random configurations. The average magnetization in a magnetic field and the phase transition to the ferromagnetic state are compared with analytical expressions.

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