ELECTRONIC SPECTRUM OF THE I2MOLECULE: A BRIEF INTRODUCTION TO SCIENTIFIC PROGRAMMING
Antonio G. S. de Oliveira‐Filho, Ana Paula de Lima Batista · Química Nova · 2015
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.