2020-09-19T06:16:01Z
https://digital.csic.es/dspace-oai/request
oai:digital.csic.es:10261/14369
2018-09-20T13:37:10Z
com_10261_14181
com_10261_4
col_10261_14182
Márquez-Mijares, Maykel
Pérez de Tudela, Ricardo
González-Lezana, Tomás
Roncero, Octavio
Miret-Artés, Salvador
Delgado Barrio, Gerardo
Villarreal, Pablo
Baccarelli, Isabella
Gianturco, Franco Antonio
Rubayo-Soneira, Jesús
2009-07-06T08:20:03Z
2009-07-06T08:20:03Z
2009-04-15
Journal of Chemical Physics 130(15): 154301 (2009)
0021-9606
http://hdl.handle.net/10261/14369
10.1063/1.3115100
A detailed study of the rovibrational spectrum of the Ar trimer is performed by means of an exact hyperspherical coordinate (HC) method and a variational approach based on distributed Gaussian functions (DGFs) to describe the interparticle distances. The good agreement observed between the energy levels obtained with both procedures for high values of the total angular momentum (J=15 and 20) reveals the quality of the DGF method to describe the rotation of the title system. Rotational constants for the lowest bound states, obtained as averages for each vibrational state, have been obtained and compared to previous results. A detailed analysis of density probability functions obtained by means of the HC approach for rovibrational states at J=0 and 20 shows close similitudes thus supporting the vibration-rotation separation adopted within the DGF scheme for the Ar3 system.
eng
openAccess
Angular momentum
Argon
Bound states
Probability
Rotational states
Rotational-vibrational states
Variational techniques
Vibrational states
[PACS] Vibration-rotation analysis (molecular spectra)
[PACS] Rotational analysis (molecular spectra)
[PACS] Molecular rotation, vibration, and vibration-rotation constants
[PACS] Vibrational analysis (molecular spectra)
[PACS] Variational techniques in atomic and molecular physics
A theoretical investigation on the spectrum of the Ar trimer for high rotational excitations
artículo