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Frank A, Lemus R, Pérez-Bernal F, et al. On the Elimination of Spurious Modes in Algebraic Models of Molecular Vibrations. J Mol Spectrosc. 1999;196(2):329-334doi: 10.1006/jmsp.1999.7859.
Frank, A., Lemus, R., Pérez-Bernal, F., & Bijker, R. (1999). On the Elimination of Spurious Modes in Algebraic Models of Molecular Vibrations. Journal of molecular spectroscopy, 196(2), 329-334. https://doi.org/10.1006/jmsp.1999.7859
Frank, et al. "On the Elimination of Spurious Modes in Algebraic Models of Molecular Vibrations." Journal of molecular spectroscopy vol. 196,2 (1999): 329-334. doi: https://doi.org/10.1006/jmsp.1999.7859
Frank A, Lemus R, Pérez-Bernal F, Bijker R. On the Elimination of Spurious Modes in Algebraic Models of Molecular Vibrations. J Mol Spectrosc. 1999 Aug;196(2):329-334. doi: 10.1006/jmsp.1999.7859. PMID: 10409463.
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J Mol Spectrosc. 1999 Aug;196(2):329-334. doi: 10.1006/jmsp.1999.7859.

On the Elimination of Spurious Modes in Algebraic Models of Molecular Vibrations.

Journal of molecular spectroscopy

Frank, Lemus, Pérez-Bernal, Bijker

Affiliations

  1. Instituto de Ciencias Nucleares, UNAM, Circuito Exterior, C.U., México, D.F., 04510, México

PMID: 10409463 DOI: 10.1006/jmsp.1999.7859

Abstract

Spurious states arise naturally in the description of molecular vibrational excitations. In the harmonic approximation such states can be projected out from the physical space exactly. This is in general not the case when anharmonic interactions are considered. We show that within the framework of the symmetry, adapted vibron models which include anharmonicities from the outset, these states can be removed in an exact fashion. Copyright 1999 Academic Press.

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