Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities
arXiv:1604.00443 · doi:10.1088/0143-0807/37/5/055705
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.
5 pages and 6 figures