Summary
One of the attractions to the study of one dimensional systems is the technological interest of their possible effects in nanoelectronics [1]. There are myriads or papers on the solution to the problem of the electronic properties of one dimensional systems. Few of these papers use python for visualization but none has used python as a tool for solving this problem from first principle. In this paper, we present several techniques of using Python as a tool in computational analysis. We report the results of using python to study the electronic properties of an infinite linear chain of atoms. We use the principles of nearest neighbor and directly calculated the eigenvalues of our system. We also derived the green function for the system and compared the eigenvalues obtained from the green function with those directly calculated. Visualization of our results was achieved using Matplotlib, a powerful yet, easy to use Python plotting library. Our results show an agreement between the eigenvalues obtained by direct calculation and those obtained using our derived green function for the system. The results also show the simplicity of Python as an analytical tool in computational sciences.
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Famutimi, E.O., Stinson, M., Lee, R. (2010). Study of One Dimensional Molecular Properties Using Python. In: Lee, R., Ormandjieva, O., Abran, A., Constantinides, C. (eds) Software Engineering Research, Management and Applications 2010. Studies in Computational Intelligence, vol 296. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-13273-5_14
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DOI: https://doi.org/10.1007/978-3-642-13273-5_14
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