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Phys. Rev. A 67, 054702 (2003) [4 pages]

Three-body nonadditive forces between spin-polarized alkali-metal atoms

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Pavel Soldán, Marko T. Cvitaš, and Jeremy M. Hutson
Department of Chemistry, University of Durham, South Road, Durham DH1 3LE, England, United Kingdom

Received 5 November 2002; published 28 May 2003

Three-body nonadditive forces in systems of three spin-polarized alkali-metal atoms (Li, Na, K, Rb, and Cs) are investigated using high-level ab initio calculations. The nonadditive forces are found to be large, especially near the equilateral equilibrium geometries. For Li, they increase the three-atom potential well depth by a factor of 4 and reduce the equilibrium interatomic distance by 1.07Å. The nonadditive forces originate principally from chemical bonding arising from sp mixing effects.

© 2003 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevA.67.054702
DOI:
10.1103/PhysRevA.67.054702
PACS:
34.20.Mq, 31.50.Bc