An accurate evaluation of C6 dispersion coefficients for long-range interactions involving H, He, H+2 and H2 has been performed using the London formula in terms of ab initio pseudostate decomposition of the static dipole polarizabilities of the individual atoms and molecules.
Dipole polarizabilities and C6 dispersion coefficients for small atomic and molecular systems.
OTTONELLI, MASSIMO
1996-01-01
Abstract
An accurate evaluation of C6 dispersion coefficients for long-range interactions involving H, He, H+2 and H2 has been performed using the London formula in terms of ab initio pseudostate decomposition of the static dipole polarizabilities of the individual atoms and molecules.
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