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ERIC Number: EJ1123407
Record Type: Journal
Publication Date: 2016-Dec
Pages: 4
Abstractor: As Provided
ISSN: ISSN-0021-9584
Teaching Reciprocal Space to Undergraduates via Theory and Code Components of an IPython Notebook
Srnec, Matthew N.; Upadhyay, Shiv; Madura, Jeffrey D.
Journal of Chemical Education, v93 n12 p2106-2109 Dec 2016
In this technology report, a tool is provided for teaching reciprocal space to undergraduates in physical chemistry and materials science courses. Reciprocal space plays a vital role in understanding a material's electronic structure and physical properties. Here, we provide an example based on previous work in the "Journal of Chemical Education" literature, carry out a calculation of reciprocal space vectors by hand, and present a computational tool for applying this mathematical process to other systems. Along with this paper, we have provided the stand-alone Python program that converts real space vectors to reciprocal space vectors and have also provided an IPython notebook that combines theory with components of the full Python code so that instructors can use this tool in their physical chemistry or materials science lectures.
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail:; Web site:
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education; Postsecondary Education
Audience: Teachers
Language: English
Sponsor: National Science Foundation (NSF)
Authoring Institution: N/A
Grant or Contract Numbers: 1259941