The calculation of resonances by anL2method; rotational resonances of H2Ar
- 20 December 1987
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 62 (6) , 1483-1501
- https://doi.org/10.1080/00268978700103121
Abstract
A method is proposed for calculating the positions and widths of resonances, using an L 2 basis set. A variational calculation with such basis yields a discretized resonance phase shift. The resonance parameters are obtained by a fit of this phase shift to a Breit-Wigner curve. The accuracy of the method, which is generally applicable, is tested on the rotational resonances of the van der Waals complex H2Ar, using a number of different basis sets. The method is very fast and yields fairly accurate results for both the positions and the widths of the resonances.Keywords
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