Evaluating dynamic multipole polarizabilities and van der Waals dispersion coefficients of two-electron systems with a quantum Monte Carlo calculation: A comparison with some ab initio calculations

Michel Caffarel, Michel Rérat, and Claude Pouchan
Phys. Rev. A 47, 3704 – Published 1 May 1993
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Abstract

We present some systematic calculations of dynamic multipole polarizabilities and van der Waals dispersion coefficients for the helium atom and H2 molecule with a quantum Monte Carlo calculation. Using an original method based on a gauge-invariant formalism we also report some ab nitio results of the same quantities. In light of the results we discuss the advantages and drawbacks of both approaches in comparison to prior theoretical results.

  • Received 14 September 1992

DOI:https://doi.org/10.1103/PhysRevA.47.3704

©1993 American Physical Society

Authors & Affiliations

Michel Caffarel

  • Laboratoire Dynamique des Interactions Moléculaires, Université Paris VI, Tour 22, 4 place Jussieu, 75252 Paris CEDEX 05, France

Michel Rérat and Claude Pouchan

  • Laboratoire de Chimie Structurale, Université de Pau, 64000 Pau, France

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Vol. 47, Iss. 5 — May 1993

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