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Effective rules for combination of interatomic interaction potentials and forces

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Abstract

New rules are proposed to combine interatomic interaction potentials of neutral atoms by summing (taking into account the sign) geometrically averaged individual contributions of constant sign, calculated using the electron gas model. The formula for the interaction force includes known values of the potentials and forces of homoatomic pairs. The error incurred by using combination relations is compatible with the error of the initial model in the range of internuclear distances 0≤R≤8 a.u.

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References

  1. G. V. Dedkov, Usp. Fiz. Nauk 165, 919 (1995).

    Google Scholar 

  2. R. G. Gordon and Y. S. Kim, J. Chem. Phys. 56, 322 (1972).

    Article  Google Scholar 

  3. W. A. Harrison, Electronic Structure and the Properties of Solids (Freeman, San Francisco, 1980) [Russ. transl., Mir, Moscow, 1983].

    Google Scholar 

  4. J. P. Biersack, Nucl. Instrum. Meth. Phys. Res. B 27, 21 (1987).

    ADS  Google Scholar 

  5. G. Strand and R. A. Bonham, J. Chem. Phys. 40, 1686 (1964).

    Article  Google Scholar 

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Authors and Affiliations

  1. Kabardino-Balkarsk State University, Nalchik

    G. V. Dedkov

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  1. G. V. Dedkov
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Pis’ma Zh. Tekh. Fiz. 23, 67–75 (August 26, 1997)

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Dedkov, G.V. Effective rules for combination of interatomic interaction potentials and forces. Tech. Phys. Lett. 23, 645–648 (1997). https://doi.org/10.1134/1.1261877

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  • DOI: https://doi.org/10.1134/1.1261877

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