Comment on On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model by Volkov, King, Coppens & Farrugia (2006).
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منابع مشابه
On the calculation of the electrostatic potential, electric field and electric field gradient from the aspherical pseudoatom model.
Accurate, yet simple and efficient, formulae are presented for calculation of the electrostatic potential (ESP), electric field (EF) and electric field gradient (EFG) from the aspherical Hansen-Coppens pseudoatom model of electron density [Hansen & Coppens (1978). Acta Cryst. A34, 909-921]. They are based on the expansion of |r' - r|(-1) in spherical harmonics and the incomplete gamma function ...
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ورودعنوان ژورنال:
- Acta crystallographica. Section A, Foundations of crystallography
دوره 63 Pt 2 شماره
صفحات -
تاریخ انتشار 2007