A new method for evaluating the electrostatic potential by using a MEM X-Ray diffraction analysis

Hiroshi Tanaka, Yoshihiro Kuroiwa, Masaki Takata

研究成果: Article査読

2 被引用数 (Scopus)

抄録

Recently, a new method was proposed for evaluating the electrostatic potential in crystalline solids from X-ray diffraction data. It is based on the electron charge density, which is analyzed by using the maximum entropy method (MEM) and Ewald's technique. The algorithm is almost parameter-free, and the electrostatic potential can be evaluated even by those with little or no experience. In this article, the method is reviewed briefly, and an application to a typical ionic crystal, NaCl, is introduced.

本文言語English
ページ(範囲)803-806
ページ数4
ジャーナルJournal of the Korean Physical Society
55
2 PART 1
DOI
出版ステータスPublished - 2009 8月
外部発表はい

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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