EVALUATING DYNAMIC MULTIPOLE POLARIZABILITIES AND VANDERWAALS DISPERSION COEFFICIENTS OF 2-ELECTRON SYSTEMS WITH A QUANTUM MONTE-CARLO CALCULATION - A COMPARISON WITH SOME ABINITIO CALCULATIONS

Authors
CAFFAREL M RERAT M POUCHAN C
Citation
M. Caffarel et al., EVALUATING DYNAMIC MULTIPOLE POLARIZABILITIES AND VANDERWAALS DISPERSION COEFFICIENTS OF 2-ELECTRON SYSTEMS WITH A QUANTUM MONTE-CARLO CALCULATION - A COMPARISON WITH SOME ABINITIO CALCULATIONS, Physical review. A, 47(5), 1993, pp. 3704-3717
Citations number
54
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
47
Issue
5
Year of publication
1993
Part
A
Pages
3704 - 3717
Database
ISI
SICI code
1050-2947(1993)47:5<3704:EDMPAV>2.0.ZU;2-6
Abstract
We present some systematic calculations of dynamic multipole polarizab ilities and van der Waals dispersion coefficients for the helium atom and H-2 molecule with a quantum Monte Carlo calculation. Using an orig inal method based on a gauge-invariant formalism we also report some a b initio results of the same quantities. In light of the results we di scuss the advantages and drawbacks of both approaches in comparison to prior theoretical results.