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The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms

Tang, Li-Yan, Yan, Zong-Chao, Shi, Ting-Yun, Babb, James F. and Mitroy, Jim (2012). The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms. Journal of Chemical Physics,136(10):104104-1-104104-8.

Document type: Journal Article
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IRMA ID 82794376xPUB21
Title The long-range non-additive three-body dispersion interactions for the rare gases, alkali and alkaline-earth atoms
Author Tang, Li-Yan
Yan, Zong-Chao
Shi, Ting-Yun
Babb, James F.
Mitroy, Jim
Journal Name Journal of Chemical Physics
Publication Date 2012
Volume Number 136
Issue Number 10
ISSN 0021-9606   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-84858972162
Start Page 104104-1
End Page 104104-8
Total Pages 8
Place of Publication United States of America
Publisher American Institute of Physics
HERDC Category C1 - Journal Article (DIISR)
Abstract The long-range non-additive three-body dispersion interaction coefficients Z 111, Z 112, Z 113, and Z 122 are computed for many atomic combinations using standard expressions. The atoms considered include hydrogen, the rare gases, the alkali atoms (up to Rb), and the alkaline-earth atoms (up to Sr). The term Z 111 arising from three mutual dipole interactions is known as the Axilrod-Teller-Muto coefficient or the DDD (dipole-dipole-dipole) coefficient. Similarly, the terms Z 112, Z 113, and Z 122 arise from the mutual combinations of dipole (1), quadrupole (2), and octupole (3) interactions between atoms and they are sometimes known, respectively, as dipole-dipole-quadrupole, dipole-dipole-octupole, and dipole-quadrupole-quadrupole coefficients. Results for the four Z coefficients are given for the homonuclear trimers, for the trimers involving two like-rare-gas atoms, and for the trimers with all combinations of the H, He, and Li atoms. An exhaustive compilation of all coefficients between all possible atomic combinations is presented as supplementary data.
DOI http://dx.doi.org/10.1063/1.3691891   (check subscription with CDU E-Gateway service for CDU Staff and Students  check subscription with CDU E-Gateway in new window)
Additional Notes Preprint pages 1-17


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