Visualization of electron/nuclear densities and structure refinement by the MPF method

Abstract

We have developed a system for pattern fitting based on the maximum entropy method (MEM-based Pattern Fitting: MPF) and a VENUS system for three-dimensional visualization of electron/nuclear-density distribution and crystal structures. The MPF method is particularly effective in analyzing chemical bonds and disordered structures because it represents crystal structures with electron/nuclear densities. VENUS is useful for a three-dimensional understanding of density distribution or a crystal structure.