 Axel D. Becke

Axel D. Becke develops practical approximations for density functional theory. His 1988 exchange functional uses the local electron density and its gradient to improve on a purely local density approximation. Its construction imposes the proper long-distance behavior of the exchange-energy density and fits one parameter using atomic exchange energies. This supplies a concrete example of building a useful approximate energy functional from physical constraints and reference calculations. The asymptotic statement concerns an energy density, and does not automatically establish the asymptotic behavior of its functional derivative.^[ref]

Axel D. Becke is a prominent Canadian theoretical chemist known for his significant contributions to the field of computational chemistry, particularly in the development of density functional theory (DFT). He is best known for the Becke exchange and correlation functionals, which are essential components of many modern DFT methods. His work has had a substantial impact on the ability to predict molecular properties and reactions with greater accuracy.