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ANALYTICAL EXPRESSIONS FOR POTENTIALS OF NEUTRAL THOMAS-FERMI-DIRAC ATOMS AND FOR THE CORRESPONDING ATOMIC SCATTERING FACTORS FOR X RAYS AND ELECTRONS

Journal Article · · Journal of Chemical Physics (U.S.)
DOI:https://doi.org/10.1063/1.1701417· OSTI ID:4164199
Approximate analytical expressions for the electrostatic potentials of neutral Thomas-Fermi-Dirac atoms were obtained by fitting a sum of three exponential terms to the tabulated values by least-squares methods. The six different parameters used for each atom are expressed as functions of the atomic number. The corresponding expressions for the radial electron density, mean- square radius, diamagnetic susceptibility, atomic scattering factors for x rays and the atomic scattering factors for epectrons according to the first Born approximation are given. The accuracy of the approximate expressions are discussed in relation to results obtained from the tabulated values of the electrostatic potential and from the corresponding electron density. (auth)
Research Organization:
Indiana Univ., Bloomington
Sponsoring Organization:
USDOE
NSA Number:
NSA-18-000773
OSTI ID:
4164199
Journal Information:
Journal of Chemical Physics (U.S.), Journal Name: Journal of Chemical Physics (U.S.) Vol. Vol: 39; ISSN JCPSA
Country of Publication:
Country unknown/Code not available
Language:
English

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