Abstract
A detailed description of the grid implementation on the production computing grid of EGEE of FLUSS and MCTDH quantum codes performing a calculation of atom-diatom reaction rate coefficients is given. An application to the N + N2 reaction for which a massive computational campaign has been performed is reported.
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Costantini, A., Faginas Lago, N., Laganà, A., Huarte-Larrañaga, F. (2009). A Grid Implementation of Direct Quantum Calculations of Rate Coefficients. In: Gervasi, O., Taniar, D., Murgante, B., Laganà, A., Mun, Y., Gavrilova, M.L. (eds) Computational Science and Its Applications – ICCSA 2009. ICCSA 2009. Lecture Notes in Computer Science, vol 5593. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-02457-3_9
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DOI: https://doi.org/10.1007/978-3-642-02457-3_9
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