Density-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsionDensity-matrix theory for the ground state of spin-compensated harmonically confined two-electron model atoms with general interparticle repulsion
Faculty of Sciences. Physics

Department of Physics

article

2009Lancaster, Pa, 2009

Physics

Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015

80(2009):3, p. 032509,1-032509,9

1094-1622

1050-2947

000270383900081

E

English (eng)

University of Antwerp

For model two-electron atoms with harmonic confinement, the correlated first-order density matrix can be expressed in terms of the relative motion wave function R(r). Here we demonstrate that the probability density P(r) associated with this wave function is directly related to the x-ray scattering factor f(G). This latter quantity, in turn, is determined by the ground-state electron density n(r). The Euler-Lagrange equation of the resulting density-matrix theory is thereby shown to take the form of a third-order integro-differential equation for n(r) in which the probability density P(r)=(r) also appears. For two specific choices of the interaction between the two fermions under consideration, the above integro-differential equation derived here is shown to lead back to known linear homogeneous differential equations for the electron density. Finally, it is emphasized that specific equations summarized here will apply directly to theoretical study of the nonrelativistic ground-state electron density n(r,Z) in the He-like ions with atomic number Z.

https://repository.uantwerpen.be/docman/irua/cb25c7/5be4bc38.pdf

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