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

Frank A. Lemus R. Pérez-Bernal F. Bijker R.
Journal of Molecular Spectroscopy
Doi 10.1006/jmsp.1999.7859
Volumen 196 páginas 329 - 334
1999-01-01
Citas: 20
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. © 1999 Academic Press.
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