RT Journal Article
T1 Equivalent rotations associated with the permutation inversion group revisited: symmetry projection of the rovibrational functions of methane
A1 Álvarez Bajo, Osiris
A1 Lemus, R.
A1 Carvajal Zaera, Miguel
A1 Pérez Bernal, Francisco
AB In this work the analysis of the equivalent rotations from the permutationinversion group formalism is revisited. We emphasize that explicit knowledgeof changes in the Euler angles are not required in order to determine the trans-formation that a given symmetry operation causes to the rotational functionswhen dealing with the permutation inversion group formalism. Indeed, matrixelements of the equivalent rotations are provided by a single Wigner’s D(j)(R)function. Taking advantage of this, we propose a symmetry projection approachto build the rovibrational functions of methane. This approach focus on the rele-vance of the isomorphism between permutations and equivalent rotations. In ourmethod, symmetry adapted functions are obtained by simultaneous diagonaliza-tion of a set of commuting operators, whose representation is given in terms ofdirect products of Wigner’s D functions and vibrational matrix representationsprovided by a local scheme. The proposed approach is general and permits to ob-tain in a systematic fashion an orthonormal set of symmetry-projected functions,with good total angular momentum, and carrying the irreducible representationsof the molecular symmetry group
PB Taylor & Francis
SN 0026-8976
YR 2011
FD 2011
LK http://hdl.handle.net/10272/5422
UL http://hdl.handle.net/10272/5422
LA eng
NO Álvarez Bajo, O., Lemus, R., Carvajal  Zaera, M., Pérez Bernal, F.: "Equivalent rotations associated with the permutation inversion group revisited: symmetry projection of the rovibrational functions of methane". Molecular Physics. Vol. 109, n. 5, p. 797-812  (2011). ISSN 0026-8976
NO This work has partially been supported by CONACyT, Mexico. This work has also been partially supported by the Spanish MEC and by European regional development funds (FEDER) under project CPAN-Ingenio (CSD2007-00042), and by the Junta de Andalucia (projects P07-FQM-02962 and P07-FQM-03014).
DS Repositorio Institucional de la Universidad de Huelva
RD 1 jun 2026