Scattering Factors for Some of the Heavier Atoms

Worsley, Beatrice H.

doi:10.1139/p59-107

Cited by 4 publications

(4 citation statements)

References 3 publications

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“…Worsley (1959) has just published a scattering factor for V +~ and this agrees exactly with the values we have given in Table 1. Recently Piper (1959) with those of Piper's to the number of figures quoted, again giving an excellent check on the accuracy of our calculations.…”

Section: Total Atomic Scattering Factorssupporting

confidence: 89%

“…The numerical computations were carried out on Whirl-12 wind I, the MIT high speed computer, using routines and techniques described earlier (Freeman, 1959a). As 10 will be shown, the accuracy of the form factors agrees s digitally with the few other such calculations available to date (Worsley, 1959;Piper, 1959). …”

Section: Introductionsupporting

confidence: 65%

“…In fact the V +z calculation of Worsley (1958) was the first really accurate Hartree-Fock calculation for the case of an unfilled d shell in that no use was made of interpolations or other approximations and the numerical solution carried out to full self-consistency. More recently, Piper (1959) has calculated complete, accurate Hartree-Fock wave functions for Fe +3, Mn +2 and Mn +4 and Mayers (1959) has done the same for some Fe series atoms.…”

Section: Introductionmentioning

confidence: 99%

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Hartree–Fock atomic scattering factors for the iron transition series

Watson¹,

Freeman²

1961

Acta Cryst

631

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Atomic scattering factors for thirty-five atoms and ions of the iron group transition series (Se through Cu) have been determined from Watson's recently calculated Hartree-Fock wave functions and compared with the few other available calculations. Principal scattering factors were also computed, following the methods of Freeman, for the 3d electrons of those atoms containing nonspherical charge distributions. As shown by Weiss & Freeman these are all that are needed for determining (from the measured neutron form factor) the spatial symmetry of the outer electrons in magnetic materials. Argon core scattering factors were also calculated, and, on the basis of these new results, the question of the constancy of the argon core is discussed quantitatively. Analysis of the 3d transforms for different stages of ionization shows another difficulty for the Weiss-:DeMarco experiments.

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Section: Total Atomic Scattering Factorssupporting

confidence: 89%

Section: Introductionsupporting

confidence: 65%

Section: Introductionmentioning

confidence: 99%

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Hartree–Fock atomic scattering factors for the iron transition series

Watson¹,

Freeman²

1961

Acta Cryst

631

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“…In computing scattering factors for Bi-Sb alloys, the Brindley-James (1931) (James, 1948), with a dispersion correction for K electrons only, called the fl curve in what follows. Of the other sets of scattering factors for elements of high atomic number in the literature, those of Worsley (1959) for Pb +++, and Henry (1954) for Au + and Hg++, agree well with the Freeman values when correctly scaled, except at low (sin 0)/~t values where the degree of ionization becomes of importance. The Thomas & Umeda (1957) values however decrease less rapidly beyond (sin 0)/,~=1 than do those calculated from self-consistent field theory.…”

Section: Parameter Zsupporting

confidence: 67%