Abstract
Some computational strategies are discussed to calculate the eigenvalues and the eigenvectors of the umbrella inversion problem for non zero angular momentum. Iterative and analytic methods are introduced with the purposes of their integration and of a rapid solution of the Schrödinger equation. Umbrella energy levels of the BH3 molecule obtained with numerical and analytic procedure are also presented and compared.
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Ragni, M., Bitencourt, A.C.P., Silva, A.E.C., Prudente, F.V. (2014). Umbrella Inversion Energy Levels of AB3 Like Molecules for J ≥ 0. In: Murgante, B., et al. Computational Science and Its Applications – ICCSA 2014. ICCSA 2014. Lecture Notes in Computer Science, vol 8579. Springer, Cham. https://doi.org/10.1007/978-3-319-09144-0_37
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DOI: https://doi.org/10.1007/978-3-319-09144-0_37
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