ISSN:
1432-2234
Schlagwort(e):
Atomic screening constants
;
Mean values of r 1 r and r 12 r in two-electron atoms
;
Scaling
;
Helium isoelectronic sequence, screening in the ∼
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
Abstract Mean values of r 1 r and r r 12 for the ground and several excited states of the helium isoelectronic sequence are used to demonstrate that a simple scaling which superimposes the distribution function f(r 12) as a function of the atomic number leads to a similar result for the electron density distribution D(r1). On the basis of a screening interpretation of the scaling parameter δ, it is concluded that screening is greater in the singlet than the triplet state of a particular configuration, that screening is greater in the P states than the corresponding S states, and that the screening approaches the limiting value of 1 for the highly excited states. The perturbation expansions of Scherr and Knight are used to determine the limiting value of δ when Z→∞ and the relationship between the scaling parameter and the scale factor, chosen so that a trial wave function satisfies the virial theorem, is discussed. A brief discussion of the scaling of the Coulomb hole is presented.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF00527627
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