MAPLE program for modelling hydrogen-like atoms in quantum mechanics with non-negative distribution function
Journal: Discrete and Continuous Models and Applied Computational Science (Vol.26, No. 4)Publication Date: 2018-12-21
Authors : Alexander Zorin; Nikolay Tretyakov;
Page : 343-356
Keywords : quantum mechanics; transition probability; computer algebra; non-negative quantum distribution function;
Abstract
The program is proposed for a realization of the symbolic algorithm based on the quantum mechanics with non-negative probability distribution function (QDF) and for calculations of energy levels for hydrogen-like atoms. The program is written up in the language MAPLE. In the framework of the algorithm an original Maple package for calculations of necessary functions, such as hydrogen wave functions, Sturmian functions and their Fourier-transforms, Clebsch-Gordan coefficients, etc. is proposed. Operators of observables are calculated on the basis of the QDF quantization rule. According to the Ritz method, eigenvalues of Ritz matrices represent spectral values of the quantity under investigation, i.e. energy. As an example, energy levels of hydrogen-like atoms are calculated and compared with experimental data retrieved from the NIST Atomic Spectra Database Levels Data. It turns out that this theory seems to be equivalent to the traditional quantum mechanics in regard to predictions of experimental values. However, the existence of a phase-space probabilistic quantum theory may be an important advance towards the explanation and interpretation of quantum mechanics.
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