Energy levels and wave functions of weakly bound bosonic trimers using Pekeris coordinates and a symmetry-adapted Lanczos approach
An approach is presented for the accurate calculation of the energy levels of weakly bound bosonic rare gas trimers. A Pekeris coordinate system is used in order to avoid the interdependent range prob...
An approach is presented for the accurate calculation of the energy levels of weakly bound bosonic rare gas trimers. A Pekeris coordinate system is used in order to avoid the interdependent range prob...
Exclusion surfaces for molecules in argon and helium
Molecular exclusion surfaces [J. Bentley, J. Phys. Chem. A 104, 9630 (2000)] have been determined for a number of molecules and molecular ions interacting with argon or helium atoms. These surfaces re...
Molecular exclusion surfaces [J. Bentley, J. Phys. Chem. A 104, 9630 (2000)] have been determined for a number of molecules and molecular ions interacting with argon or helium atoms. These surfaces re...
Vibrational analysis of small H
hydrogen clusters
J. Chem. Phys. 119, 5444 (2003); doi:10.1063/1.1599350
Issue Date: 15 September 2003
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Anharmonic vibrational frequencies are calculated for the H clusters (n = 5,7,9) employing the correlation-corrected vibrational self-consistent field method. The present results confirm previous experimental assignments and also allow us to assign the 6690 cm–1 band of the H
cluster. The results explain the lack of features in the photodissociation spectra of the H
and H
clusters, in the region of 3000–3600 cm–1. The calculation also provides enough reliable data for the identification of these clusters in hydrogen atmospheres. The nature of the excitations near 4000 cm–1 in the vibrational spectra of the H and H clusters and their implication in the mechanism of photodissociation of these cluster are also discussed. ©2003 American Institute of Physics.
| History: | Received 3 June 2003; accepted 18 June 2003 |
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