Abstract
We present a parallelized contracted basis-iterative calculation of vibrational energy levels of CH\(_5^+\) (a 12D calculation). We use Radau polyspherical coordinates and basis functions that are products of eigenfunctions of bend and stretch Hamiltonians. The basis functions have amplitude in all of the 120 equivalent minima. Many low-lying levels are well converged. A new parallelization scheme is presented.
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Wang, XG., Carrington, T. (2010). A Parallel Algorithm for Computing the Spectrum of CH\(_5^+\) . In: Mewhort, D.J.K., Cann, N.M., Slater, G.W., Naughton, T.J. (eds) High Performance Computing Systems and Applications. HPCS 2009. Lecture Notes in Computer Science, vol 5976. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-12659-8_9
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DOI: https://doi.org/10.1007/978-3-642-12659-8_9
Publisher Name: Springer, Berlin, Heidelberg
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