An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix. A C++ class named Davidson is presented for determining a few eigenpairs with lowest or alternatively highest values of a large, real, symmetric matrix. The algorithm described by Stathopoulos and Fischer is used. The exception mechanism is involved to report the errors. The class is written in ANSI C++, so it is fully portable. In addition a console program as well as a program with graphical user interface for Microsoft Windows is attached, which allow one to calculate the lowest eigenstates of time-independent Schrödinger equation for a given binding potential in one, two or three spatial dimensions. The package contains the classes providing often used potential functions (model atom potential, Coulomb potential, square well potential and Kramers-Henneberger well potential) as well as a possibility to use any potential stored in a file (then any dimensionality of the problem is allowed).
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References in zbMATH (referenced in 1 article , 1 standard article )
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- Dziubak, Tomasz; Matulewski, Jacek: An object-oriented C++ implementation of Davidson method for finding a few selected extreme eigenpairs of a large, sparse, real, symmetric matrix (2007)