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arXiv · 1604.00443

Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities

Jean Hoarau·Jean-Claude Rayez
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Abstract

Representations of atomic orbitals based on Monte-Carlo (MC) approaches are not always correct when using various sets of orthogonal coordinates other than Cartesian coordinates. The analysis proposed here gives elements for a proper use of MC methodology. It can be very useful for students and for teachers.

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Jean Hoarau, Jean-Claude Rayez. 2016-04-02. Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities. https://doi.org/10.1088/0143-0807/37/5/055705

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