Realistic three–dimensional plots of atomic orbitals with a spreadsheet / Manuel I González
Si trova su / Altri legami
© 2021 European Physical Society.This work suggests a three–step procedure to display realistic views of any atomic orbital of known wave function. As a first step, a simple Monte Carlo routine is described to create a cloud consisting of many points distributed in space according to the probability density of the selected orbital. Next, elementary geometric transformations are derived to project the cloud onto a computer screen, as viewed from an arbitrary line of sight. Finally the projection procedure is automated by means of a spreadsheet. Several screenshots of selected orbitals are provided as examples.
