research papers
Structure-factor (X-ray and electron) calculations and high-resolution electron-microscope image simulations are used to evaluate charge redistribution effects.
research papers
A method is reported for the parameterization of bulk charge density exploiting density functional calculations which can be used to generate an improvement over a neutral atom model.
research papers
A multislice method for simulating precession electron diffraction data is presented, and simulated data are compared to experimental data for two materials systems. Dynamical diffraction effects are present in precession data but are somewhat smaller and intensity ordering is better preserved than in conventional transmission electron diffraction. Some of the implications of precession for conventional direct methods are discussed.