Thomas-Fermi screening factor

The exponential term is a Thomas-Fermi screening factor which accounts for the screening by the core electrons. Direct measurement of the ionic character of a bond is a complex operation. In principle, a number of techniques such as X-ray or neutron diffraction, nmr, photoelectron or Mossbauer spectroscopy provide information about electron distribution and charge density in practice the results are usually far from unambiguous. 

The parameter t is expressed in terms of the Thomas-Fermi screening wave number a = /Akp/nao (see also Chapter 9), the spin scaling factor... 

Slater proposes an effective quantum number n = 3.7, the atomic factor can only be presented in the form of a sum with an infinite number of components. The series may be terminated if the effective quantum number for the N shell is taken as 3.5, 4.0, or 4.5. We calculated values of the atomic factor for the neutral Br atom with different values of n. The most satisfactory agreement with the theoretical form factors, calculated according to the Thomas—Fermi—Dirac model, was obtained at n — 4.5 screening coefficients proposed in [11] were used in the calculations. The equation of the atomic scattering function for the N shell in the case of a spherically symmetrical electron density distribution and n — 4.5 has the following form ... 

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