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Author | Lobato Hoyos, I.P.; van Dyck, D. | ||||
Title | An accurate parameterization for scattering factors, electron densities and electrostatic potentials for neutral atoms that obey all physical constraints | Type | A1 Journal article | ||
Year | 2014 | Publication ![]() |
Acta crystallographica: section A: foundations of crystallography | Abbreviated Journal | Acta Crystallogr A |
Volume | 70 | Issue | 6 | Pages | 636-649 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
Abstract | An efficient procedure and computer program are outlined for fitting numerical X-ray and electron scattering factors with the correct inclusion of all physical constraints. The numerical electron scattering factors have been parameterized using five analytic non-relativistic hydrogen electron scattering factors as basis functions for 103 neutral atoms of the periodic table. The inclusion of the correct physical constraints in the electron scattering factor and its derived quantities allows the use of the new parameterization in different fields. In terms of quality of the fit, the proposed parameterization of the electron scattering factor is one order of magnitude better than the previous analytic fittings. | ||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Copenhagen | Editor | ||
Language | Wos | 000344599300012 | Publication Date | 2014-10-16 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2053-2733; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 5.725 | Times cited | 19 | Open Access | |
Notes | Approved | Most recent IF: 5.725; 2014 IF: NA | |||
Call Number | UA @ lucian @ c:irua:122103 | Serial | 93 | ||
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