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A variational Monte Carlo calculation of dynamic multipole polarizabilities and van der Waals coefficients of the PsH system

Massimo Mella·Dario Bressanini·Gabriele Morosi
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Abstract

The first three dynamic multipole polarizabilities for the ground state of hydrogen, helium, hydride ion, and positronium hydride PsH have been computed using the variational Monte Carlo (VMC) method and explicitly correlated wave functions. Results for the static dipole polarizability by means of the diffusion Monte Carlo (DMC) method and the finite field approach show the VMC results to be quite accurate. From these dynamic polarizabilities van der Waals dispersion coefficients for the interaction of PsH with ordinary electronic systems can be computed, allowing one to predict the dispersion energy for the interaction between PsH and less exotic atoms and molecules.

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Massimo Mella, Dario Bressanini, Gabriele Morosi. 2000-10-25. A variational Monte Carlo calculation of dynamic multipole polarizabilities and van der Waals coefficients of the PsH system. https://doi.org/10.1103/physreva.63.024503

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