Abstract
In this paper, we advocate the use of literate programming techniques in molecular physics and quantum chemistry. With a suitable choice of publication medium, literate programming allows both a theory and corresponding computer code to be placed in the public domain and subject to the usual “open criticism and constructive use” which form an essential ingredient of the scientific method.
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QUINEY, H., WILSON, S. (2006). THEORY AND COMPUTATION IN THE STUDY OF MOLECULAR STRUCTURE. In: JULIEN, JP., MARUANI, J., MAYOU, D., WILSON, S., DELGADO-BARRIO, G. (eds) Recent Advances in the Theory of Chemical and Physical Systems. Progress in Theoretical Chemistry and Physics, vol 15. Springer, Dordrecht. https://doi.org/10.1007/1-4020-4528-X_1
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DOI: https://doi.org/10.1007/1-4020-4528-X_1
Publisher Name: Springer, Dordrecht
Print ISBN: 978-1-4020-4527-1
Online ISBN: 978-1-4020-4528-8
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