Abstract

The long-range (nonretarded) van der Waals coefficients for two and three helium atoms are determined by an integration over imaginary frequencies of helium dynamic polarizabilities. An analytic form for the dynamic polarizability as a function of frequency is generated by the Pad\'e-approximant method from accurate numerical values calculated by Schwartz. The coefficient ${C}_{\mathrm{AB}}$ of the van der Waals energy (the $\ensuremath{-}{C}_{\mathrm{AB}}{{R}_{\mathrm{AB}}}^{\ensuremath{-}6}$ term) between two He atoms is calculated to be 1.460 a.u., and the coefficient ${D}_{\mathrm{ABC}}$ of the nonadditive contribution [the ${D}_{\mathrm{ABC}}(3 {cos\ensuremath{\theta}}_{A}{cos\ensuremath{\theta}}_{B}{cos\ensuremath{\theta}}_{C}+1) {{R}_{\mathrm{AB}}}^{\ensuremath{-}3}{{R}_{\mathrm{BC}}}^{\ensuremath{-}3}{{R}_{\mathrm{CA}}}^{\ensuremath{-}3}$ term] between three He atoms is calculated to be 1.481 a.u.

Keywords

van der Waals forcePolarizabilityPhysicsHeliumAtomic physicsVan der Waals strainVan der Waals radiusEnergy (signal processing)Van der Waals surfaceOrder (exchange)Quantum mechanicsMolecule

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Publication Info

Year
1968
Type
article
Volume
171
Issue
1
Pages
70-74
Citations
43
Access
Closed

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K. T. Tang, Martin Karplus (1968). Padé-Approximant Calculation of the Nonretarded van der Waals Coefficients for Two and Three Helium Atoms. Physical Review , 171 (1) , 70-74. https://doi.org/10.1103/physrev.171.70

Identifiers

DOI
10.1103/physrev.171.70