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Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex. / Elander, Nils; Levin, Sergey B.; Yarevsky, Evgeny.

In: International Journal of Quantum Chemistry, Vol. 109, No. 3, 2009, p. 459-468.

Research output: Contribution to journal › Article › peer-review

Harvard

Elander, N, Levin, SB & Yarevsky, E 2009, 'Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex', International Journal of Quantum Chemistry, vol. 109, no. 3, pp. 459-468. https://doi.org/10.1002/qua.21829, https://doi.org/DOI: 10.1002/qua.21829

APA

Elander, N., Levin, S. B., & Yarevsky, E. (2009). Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex. International Journal of Quantum Chemistry, 109(3), 459-468. https://doi.org/10.1002/qua.21829, https://doi.org/DOI: 10.1002/qua.21829

Vancouver

Elander N, Levin SB, Yarevsky E. Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex. International Journal of Quantum Chemistry. 2009;109(3):459-468. https://doi.org/10.1002/qua.21829, https://doi.org/DOI: 10.1002/qua.21829

Author

Elander, Nils ; Levin, Sergey B. ; Yarevsky, Evgeny. / Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex. In: International Journal of Quantum Chemistry. 2009 ; Vol. 109, No. 3. pp. 459-468.

BibTeX

@article{bf737e95182b49ba8278a8417489d322,
title = "Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex",
abstract = "This report details extensions and further analysis of the results presented in an earlier study (Elander et al, Phys Rev A 2001, 64, 012505). Rovibrational resonances in a model of the triatomic van der Waals complex NeICl were studied with a full quantum mechanical, smooth exterior dilation technique realized in a three-dimensional finite element code. Both exact and approximate results, where Coriolis effects are neglected, are presented, and their structures are discussed. Although the helicity is a good quantum number in a one-equation approximation, it is here demonstrated that this is not in the case when including Coriolis coupling, that is, couplings to other helicity components. The behavior of the resonance widths and the positions together with the structure of the resonance wave functions and their dependence on the total angular momentum and its projection have been studied. The dependence of the width of a given resonance on the total angular momentum was found to be weak while the dependence on the helicity is stronger.",
keywords = "Complex scaling, Convergence, Finite element, Resonance, Three-body system",
author = "Nils Elander and Levin, {Sergey B.} and Evgeny Yarevsky",
year = "2009",
doi = "10.1002/qua.21829",
language = "English",
volume = "109",
pages = "459--468",
journal = "International Journal of Quantum Chemistry",
issn = "0020-7608",
publisher = "Wiley-Blackwell",
number = "3",

}

RIS

TY - JOUR

T1 - Convergence and quantum number assignment studies of rovibrational eigenstates in a model of predissociating NeICl van der Waals complex

AU - Elander, Nils

AU - Levin, Sergey B.

AU - Yarevsky, Evgeny

PY - 2009

Y1 - 2009

N2 - This report details extensions and further analysis of the results presented in an earlier study (Elander et al, Phys Rev A 2001, 64, 012505). Rovibrational resonances in a model of the triatomic van der Waals complex NeICl were studied with a full quantum mechanical, smooth exterior dilation technique realized in a three-dimensional finite element code. Both exact and approximate results, where Coriolis effects are neglected, are presented, and their structures are discussed. Although the helicity is a good quantum number in a one-equation approximation, it is here demonstrated that this is not in the case when including Coriolis coupling, that is, couplings to other helicity components. The behavior of the resonance widths and the positions together with the structure of the resonance wave functions and their dependence on the total angular momentum and its projection have been studied. The dependence of the width of a given resonance on the total angular momentum was found to be weak while the dependence on the helicity is stronger.

AB - This report details extensions and further analysis of the results presented in an earlier study (Elander et al, Phys Rev A 2001, 64, 012505). Rovibrational resonances in a model of the triatomic van der Waals complex NeICl were studied with a full quantum mechanical, smooth exterior dilation technique realized in a three-dimensional finite element code. Both exact and approximate results, where Coriolis effects are neglected, are presented, and their structures are discussed. Although the helicity is a good quantum number in a one-equation approximation, it is here demonstrated that this is not in the case when including Coriolis coupling, that is, couplings to other helicity components. The behavior of the resonance widths and the positions together with the structure of the resonance wave functions and their dependence on the total angular momentum and its projection have been studied. The dependence of the width of a given resonance on the total angular momentum was found to be weak while the dependence on the helicity is stronger.

KW - Complex scaling

KW - Convergence

KW - Finite element

KW - Resonance

KW - Three-body system

UR - http://www.scopus.com/inward/record.url?scp=58149262851&partnerID=8YFLogxK

U2 - 10.1002/qua.21829

DO - 10.1002/qua.21829

M3 - Article

VL - 109

SP - 459

EP - 468

JO - International Journal of Quantum Chemistry

JF - International Journal of Quantum Chemistry

SN - 0020-7608

IS - 3

ER -

ID: 5023467