The use of single-crystal diffraction experiments for crystal structure determination has been extensively explored over the years. These experiments are often limited to the determination of the three-dimensional structure of the studied compound by deducing the positions of atomic nuclei in the unit cell. Most methods used to determine the crystal structures rely on a simple model called the ‘Independent Atom Model’ (IAM), which assumes the crystal to be an assembly of non-interacting atoms and the corresponding electrostatic potentials and electron densities to be spherical and centred on the coordinates of the corresponding nuclei.1 Although IAM is a reasonable starting point and it is acceptable to build a reasonably correct structural model, it is chemically inconsistent lacking the typical features of chemical bonding.2,3
Alternative models to IAM have been studied in the past to extract fine electron density features from exceptionally good-quality X-ray data.3 In the seminar, I will try to summarize the different models for charge density analysis and also explore the possibilities to use these models with data collected from electron diffraction experiments.

*corresponding author: e-mail: ashwinsuresh650@gmail.com

References
[1] Grabowsky S. (2021) De Gruyter, Complementary Bonding Analysis.
[2] Coppens P. (1997) Oxford Univ. Press, X-Ray Charge Densities and Chemical Bonding.
[3] Kulik, M., & Dominiak, P. M. (2022). Computational and Structural Biotechnology Journal, Electron density is not spherical: the many applications of the transferable aspherical atom model.