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

Pavel Soldán, Marko T. Cvitaš, and Jeremy M. Hutson
Phys. Rev. A 67, 054702 – Published 28 May 2003
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Abstract

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.

  • Received 5 November 2002

DOI:https://doi.org/10.1103/PhysRevA.67.054702

©2003 American Physical Society

Authors & Affiliations

Pavel Soldán, Marko T. Cvitaš, and Jeremy M. Hutson

  • Department of Chemistry, University of Durham, South Road, Durham DH1 3LE, England, United Kingdom

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Vol. 67, Iss. 5 — May 2003

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