In this paper, the history, present status, and future of density-functional theory (DFT) is
informally reviewed and discussed by 70 workers in the field, including molecular scientists …

In this review article, we intend to highlight the basic electronic structure principles and
various reactivity descriptors as defined within the premise of conceptual density functional …

This paper results from a round table discussion at the CCTC2018 Conference in Changsha
City, Hunan, China, in December 2018. It presents a report on the status, prospects, and …

We review the early works which were precursors of the Conceptual Density Functional
Theory. Starting from Thomas–Fermi approximation and from the exact formulation of …

The position of conceptual density functional theory (CDFT) in the history of density
functional theory (DFT) is sketched followed by a chronological report on the introduction of …

In the context of the growing impact of conceptual density functional theory (DFT) as one of
the most successful chemical reactivity theories, response functions up to second order have …

The extension of the E= E [N, v] functional for exploring chemical reactivity in a conceptual
DFT context to include external electric fields is discussed. Concentrating on the case of a …

In the first paper of this series, the authors derived an expression for the interaction energy
between two reagents in terms of the chemical reactivity indicators that can be derived from …

The necessity of the recent incorporation of new external variables in the context of
conceptual DFT (CDFT) is discussed based on the ever‐increasing portfolio of experimental …

Electronegativity is a fundamental concept in chemistry that allows one to infer important
aspects about the interactions between chemical species. In the present work we make use …