电荷密度
电荷(物理)
物理
化学物理
静电学
材料科学
化学
纳米技术
量子力学
物理化学
作者
Christian B. Hübschle,Sander van Smaalen
标识
DOI:10.1107/s1600576717013802
摘要
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 software that will be part of the
科研通智能强力驱动
Strongly Powered by AbleSci AI