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C6 dispersion coefficients from reduced dipole pseudospectra

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Abstract

A recently proposed interpolation tech- nique for FDPs is extended to cover static pseudospectra of monomers as well. Reduced 4-term dipole pseudospectra are obtained for the ground states of H, He, \(H_2^+, H_2\), LiH, BeH2, BH, giving dispersion constants from which highly accurate C6 dispersion coefficients for all homo- and hetero-dimers are obtained by use of the generalized London formula.

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Authors and Affiliations

  1. Dipartimento di Chimica e Chimica Industriale dell’Università, Via Dodecaneso 31 – 16146, Genova, Italy

    Giuseppe Figari, Marina Rui, Camilla Costa & Valerio Magnasco

Authors
  1. Giuseppe Figari
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  2. Marina Rui
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  3. Camilla Costa
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  4. Valerio Magnasco
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Corresponding author

Correspondence to Valerio Magnasco.

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Contribution to the Fernando Bernardi Memorial Issue.

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Figari, G., Rui, M., Costa, C. et al. C6 dispersion coefficients from reduced dipole pseudospectra. Theor Chem Account 118, 107–112 (2007). https://doi.org/10.1007/s00214-007-0252-3

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  • DOI: https://doi.org/10.1007/s00214-007-0252-3

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