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Phys. Rev. A 64, 012505 (2001) [4 pages]

Full-angular-momentum, three-dimensional, smooth-exterior complex dilated, finite-element method for computing resonances in triatomic molecules: Application to a model of the NeICl van der Waals complex

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Nils Elander, Sergey Levin *, and Evgeny Yarevsky †
Department of Physics, Stockholm University, Box 6730, S-11385 Stockholm, Sweden

Received 7 July 2000; published 12 June 2001

By combining a total-angular-momentum representation, the smooth-exterior complex dilation technique and a three-dimensional finite-element code, a study of some resonances in a model of an electronic surface of the van der Waals complex NeICl was performed. For zero angular momentum, our results show good agreement with earlier calculations. Using the present formalism we believe that we are able to report a fully quantum-mechanical calculation of predissociation widths for a triatomic molecule.


©2001 The American Physical Society

URL: http://link.aps.org/doi/10.1103/PhysRevA.64.012505
DOI: 10.1103/PhysRevA.64.012505
PACS: 31.15.-p, 33.80.-b

* On leave of absence from Department of Mathematical and Computational Physics, Institute for Physics, St. Petersburg University, St. Petersburg, Russia.
† International Solvay Institutes for Physics and Chemistry, Campus Plaine ULB C.P.231, Bd. du Triomphe, Brussels 1050, Belgium.

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