Structure of the weakly bound triatomic He2Li and He2Na molecules

Structure of the weakly bound triatomic He2Li and He2Na molecules We study the structure of triatomic molecules containing two helium atoms and one alkali-metal atom X (X = Li, Na). The three-body Schrödinger equation is solved in hyperspherical coordinates using the He-He and He-X pair van der Waals potentials available in the literature. We calculate the structural properties of the He2Li and He2Na bound states, and analyze one-dimensional pair and angle distribution functions as well as two-dimensional pair-pair and angle-angle distribution functions. These bound states are characterized by so peculiar weakly bound structures that classifying them into particular sizes and geometrical shapes appears to be elusive. Particularly, the JΠ=0+ excited states of He24Li6 and He24Li7 are found to constitute giant triatomic molecules with their size amounting to several hundred bohrs. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review A American Physical Society (APS)

Structure of the weakly bound triatomic He2Li and He2Na molecules

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Structure of the weakly bound triatomic He2Li and He2Na molecules

Abstract

We study the structure of triatomic molecules containing two helium atoms and one alkali-metal atom X (X = Li, Na). The three-body Schrödinger equation is solved in hyperspherical coordinates using the He-He and He-X pair van der Waals potentials available in the literature. We calculate the structural properties of the He2Li and He2Na bound states, and analyze one-dimensional pair and angle distribution functions as well as two-dimensional pair-pair and angle-angle distribution functions. These bound states are characterized by so peculiar weakly bound structures that classifying them into particular sizes and geometrical shapes appears to be elusive. Particularly, the JΠ=0+ excited states of He24Li6 and He24Li7 are found to constitute giant triatomic molecules with their size amounting to several hundred bohrs.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1050-2947
eISSN
1094-1622
D.O.I.
10.1103/PhysRevA.96.012508
Publisher site
See Article on Publisher Site

Abstract

We study the structure of triatomic molecules containing two helium atoms and one alkali-metal atom X (X = Li, Na). The three-body Schrödinger equation is solved in hyperspherical coordinates using the He-He and He-X pair van der Waals potentials available in the literature. We calculate the structural properties of the He2Li and He2Na bound states, and analyze one-dimensional pair and angle distribution functions as well as two-dimensional pair-pair and angle-angle distribution functions. These bound states are characterized by so peculiar weakly bound structures that classifying them into particular sizes and geometrical shapes appears to be elusive. Particularly, the JΠ=0+ excited states of He24Li6 and He24Li7 are found to constitute giant triatomic molecules with their size amounting to several hundred bohrs.

Journal

Physical Review AAmerican Physical Society (APS)

Published: Jul 11, 2017

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