Comment about the use of Monte-Carlo methodology for the representation of atomic electronic densities
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.
- Publication:
-
European Journal of Physics
- Pub Date:
- September 2016
- DOI:
- 10.1088/0143-0807/37/5/055705
- arXiv:
- arXiv:1604.00443
- Bibcode:
- 2016EJPh...37e5705H
- Keywords:
-
- Physics - Chemical Physics
- E-Print:
- 5 pages and 6 figures