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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. / Elander, Nils; Levin, Sergey; Yarevsky, Evgeny.

In: Physical Review A. Atomic, Molecular, and Optical Physics, Vol. 64, No. 1, 0125051, 2001, p. 4.

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@article{b1d86572ce4244b5ad36829a8a8d9676,
title = "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",
abstract = "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.",
author = "Nils Elander and Sergey Levin and Evgeny Yarevsky",
year = "2001",
doi = "10.1103/PhysRevA.64.012505",
language = "English",
volume = "64",
pages = "4",
journal = "Physical Review A - Atomic, Molecular, and Optical Physics",
issn = "1050-2947",
publisher = "American Physical Society",
number = "1",

}

RIS

TY - JOUR

T1 - Full-angular-momentum, three-dimensional, smooth-exterior complex dilated, finite-element method for computing resonances in triatomic molecules

T2 - Application to a model of the NeICl van der Waals complex

AU - Elander, Nils

AU - Levin, Sergey

AU - Yarevsky, Evgeny

PY - 2001

Y1 - 2001

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85035262573&partnerID=8YFLogxK

U2 - 10.1103/PhysRevA.64.012505

DO - 10.1103/PhysRevA.64.012505

M3 - Article

AN - SCOPUS:0035395262

VL - 64

SP - 4

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

SN - 1050-2947

IS - 1

M1 - 0125051

ER -

ID: 36799688