The simplified thomas-fermi-dirac equation and approximation of its calculation for an atomic potential

Firsov, O. B.

doi:10.1080/00337578208225735

Cited by 8 publications

(5 citation statements)

References 11 publications

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“…(15) and (21) give practically the same results. However, at 1.4<R<2 values of ~o(R; Z) obtained by (15) are in a better agreement with the HF data. Consider now the range of validity of (15) …”

Section: ~Z1/3f(cz1/3) Here F(x) Is a Periodic Function F(x+l)=f(x)supporting

confidence: 83%

“…Therefore, in this range (18) produces the best results. However, as R increases this equation leads to less accurate values of ~o(R; Z) than (15) and (17). This is explained by two facts.…”

Section: Resultsmentioning

confidence: 81%

“…We also note that in calculating the TFD screening function one may utilize the analitical approximation [15] sh 21.8 a (PTFD(R ; Z)-sh2a(1.8 +~),…”

Section: ~Z1/3f(cz1/3) Here F(x) Is a Periodic Function F(x+l)=f(x)mentioning

confidence: 99%

“…However, since the exchange effects are of relative order Z-2/3, it is more reasonable to investigate these effects within the first order with respect to ft. Such a method has been developed in [9] and yields (15) where CPex(X ) is the dimensionless correction function. Numerical values of (pex(X) and some of its properties are given in the Appendix.…”

Section: Z1mentioning

confidence: 99%

“…(15) and (17) o near R~R~x(r~e ) gives rise to the strong self-concellation of the terms containing in these equations. Therefore, we recommend to confine oneself to the values of R, at which quantum corrections do not exceed half the TF contribution.…”

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confidence: 96%

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Improved Thomas-Fermi interaction potential for atoms with very dissimilar nuclear charges

Plindov¹,

Pogrebnya²

1984

Z Physik A

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The interaction potential, U(R), for atoms with nuclear charges Z a and Z 2 (Za >>Z2) is discussed. It is shown that within the linear approximation in Z2/Z 1 this potential is determined by the atomic screening function, q~(R; Z), alone. On the basis of the Thomas-Fermi model allowing for quantum corrections, several universal expressions for ~o(R; Z) are suggested. They permit reliable estimates of U(R) up to R,-~2 a.u. and for Z2/Z 1 ~, 1/5.

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Section: ~Z1/3f(cz1/3) Here F(x) Is a Periodic Function F(x+l)=f(x)supporting

confidence: 83%

Section: Resultsmentioning

confidence: 81%

“…We also note that in calculating the TFD screening function one may utilize the analitical approximation [15] sh 21.8 a (PTFD(R ; Z)-sh2a(1.8 +~),…”

Section: ~Z1/3f(cz1/3) Here F(x) Is a Periodic Function F(x+l)=f(x)mentioning

confidence: 99%

Section: Z1mentioning

confidence: 99%

mentioning

confidence: 96%

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