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

被引：41
作者：
CAFFAREL, M [1 ]
RERAT, M [1 ]
POUCHAN, C [1 ]
机构：
[1] UNIV PAU, CHIM STRUCT LAB, F-64000 PAU, FRANCE
来源：
PHYSICAL REVIEW A | 1993年 / 47卷 / 05期
关键词：
D O I：
10.1103/PhysRevA.47.3704
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We present some systematic calculations of dynamic multipole polarizabilities and van der Waals dispersion coefficients for the helium atom and H-2 molecule with a quantum Monte Carlo calculation. Using an original method based on a gauge-invariant formalism we also report some ab initio 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.
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页码：3704 / 3717
页数：14
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