This study proposes an activity to introduce scientific programming. In particular, the multidisciplinary concepts of scientific programming, quantum mechanics, and spectroscopy are presented in the study of the electronic spectrum of the I2 molecule. We use Python programming language and the IPython command shell, in particular, for their user friendliness and versatility.
CITATION STYLE
De Oliveira Filho, A. G. S., & De Lima Batistab, A. P. (2016). Electronic spectrum of the I2 molecule: A brief introduction to scientific programming. Quimica Nova, 39(1), 118–122. https://doi.org/10.5935/0100-4042.20150168
Mendeley helps you to discover research relevant for your work.