2 papers
cond-mat.str-el2019
Semi-Local Parameterization of the Electron Localization Function in Second-Order Density Gradients
Alexander Lindmaa, Joel Davidsson, Ann E. Mattsson +1
The electron localization function (ELF) is a universal measure of electron localization that allows for, e.g., an effective characterization of physical bonds in molecular and sol…
physics.chem-ph2009
Calculation of chemical reaction energies using the AM05 density functional
Richard P. Muller, Ann E. Mattsson, Curtis L. Janssen
We present results that compare the accuracy of the AM05 density functional to a set of chemical reaction energies. The reactions were generated from the singlet species in the wel…