INIFTA 05425
INSTITUTO DE INVESTIGACIONES FISICO-QUIMICAS TEORICAS Y APLICADAS
Unidad Ejecutora - UE
artículos
Título:
Energy levels of a coupled-rotors model
Autor/es:
FERNÁNDEZ, FRANCISCO M.; AMORE, PAOLO
Revista:
JOURNAL OF MATHEMATICAL CHEMISTRY
Editorial:
SPRINGER
Referencias:
Año: 2021 vol. 59 p. 161 - 167
ISSN:
0259-9791
Resumen:
We calculate the energy levels of a coupled-rotors model that has proved useful forthe analysis of the multiple tunnelling peaks in the inelastic neutron scattering from4-methylpyridine crystals. We resort to the Rayleigh?Ritz variational method with abasis set for each irreducible representation. The energy levels in terms of the rotorcoupling strength exhibit a rich pattern of crossings between states of diferent symmetry and avoided crossings between states of the same symmetry.
