[K202-1am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-1am-01] Study on Calculation of Electron Density Distribution of Centrosymmetric Mg3BN3 High Pressure Phase via Maximum Entropy Method Incorporating Discrete Cosine Transform

^○Hideo Hiraguchi¹ (1. The Institution of Professional Engineers, Japan)

[Lang.] English

Keywords:Discrete Cosine Transform, Maximum Entropy Method, Electron Density Distribution