Abstract
We present a general formalism of the finite element method and its computational aspects that influence the solution accuracy of spectral quantum mechanical problems. The possibilities of the method are demonstrated using as an example inversion vibrational spectra of structurally non-rigid complexes.
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Additional information
High Energy Physics Institute, Protvino. I. V. Kurchatov, Atomic Energy Institute, Moscow. Translated from Teoreticheskaya i Eksperimental'naya Khimiya, Vol. 27, No. 4, pp. 442–446. July–August, 1991. Original article submitted April 4, 1991.
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Gusev, V.V., Potapov, S.G. & Sukhanov, L.P. Application of the finite element method to molecular quantum mechanics. Theor Exp Chem 27, 381–385 (1991). https://doi.org/10.1007/BF01372510
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DOI: https://doi.org/10.1007/BF01372510