Study of a gradient expansion approach to compute the Fukui function in atoms

An approach to compute the Fukui function in the form of a gradient correction to the electron density of an N-electron homogeneous system has been proposed by Chattaraj, Cedillo and Parr. This procedure needs only the electron density of the system to obtain the Fukui function and involves only one adjustable parameter in the gradient correction. The behavior of this expression for the Fukui function and its dependence on that single parameter are explored. The type of information obtainable from this particular functional of the electron density is also analyzed.