Symmetry projection of the rovibrational functions of methane

Alvarez-Bajo O. Lemus R. Carvajal M. Pérez-Bernal F.
AIP Conference Proceedings
Doi 10.1063/1.3537847
Volumen 1323 páginas 191 - 202
2010-12-01
Citas: 4
Abstract
In this work we propose a symmetry projection approach to build a rovibrational basis for methane. In our method, symmetry adapted functions are obtained by simultaneous diagonalization of a set of commuting operators, whose representation is given in terms of direct products of Wigner's D functions and vibrational matrix representations provided by a local scheme. The proposed approach is general and permits to obtain in a systematic fashion an orthonormal set of symmetry-projected functions, with good total angular momentum, and carrying the irreducible representations of the molecular symmetry group. © 2010 American Institute of Physics.
Methane, Rovibrational functions, Symmetry projection
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