ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The recently proposed method of density mapping between momentum and position spaces is applied to the ground state of the helium atom. The Kellner densities and wave functions are used as reference, and the Eckart densities γ(p) and ρ(r) are employed as test densities keeping their parent wave functions in blind. From the momentum density γ(p), the corresponding position density ργ(r) and the position moments 〈rn〉γ (−2≤n≤4) are generated within a few percent error. The inverse procedure generates the momentum density γρ(p) and the momentum moments 〈pn〉ρ (−2≤n≤4) from the position density ρ(r) with a better accuracy. Density-functional calculations are performed in a simplified manner and the energies close to the Hartree–Fock limit value are obtained.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.456764
