Some Recent Advances of Information-Theoretic Approach in Density Functional Theory

We have witnessed a recent surge in the development and application of the information-theoretic approach in density functional theory. In this minireview, focusing on our own work in recent years about this topic, we highlight its theoretical framework, including four representations, three principles and two identities, illustrate four examples of its applications in determining electrophilicity, nucleophilicity, regioselectivity, and stereoselectivity, and then overview a few advances in the recent literature such as topological analysis, energetic information, excited states and machine learning. We conclude by providing a few remarks about its future developments and possible applications.