Electrostatic potential of dynamic charge densities
نویسندگان
چکیده
منابع مشابه
The electrostatic potential of dynamic charge densities
A procedure to derive the electrostatic potential (ESP) for dynamic charge densities obtained from structure models or maximum-entropy densities is introduced. The ESP essentially is obtained by inverse Fourier transform of the dynamic structure factors of the total charge density corresponding to the independent atom model, the multipole model or maximum-entropy densities, employing dedicated ...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations and Advances
سال: 2016
ISSN: 2053-2733
DOI: 10.1107/s2053273316098727