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Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection (2016)
Journal Article
Vuckovic, S., Irons, T. J., Savin, A., Teale, A. M., & Gori-Giorgi, P. (2016). Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection. Journal of Chemical Theory and Computation, 12(6), 2598-2610. https://doi.org/10.1021/acs.jctc.6b00177

The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange?correlation hole. These local models are more amena... Read More about Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection.

Electron localisation function in current-density-functional theory (2016)
Journal Article
Furness, J. W., Ekström, U., Helgaker, T., & Teale, A. M. (2016). Electron localisation function in current-density-functional theory. Molecular Physics, 114(7-8), 1415-1422. https://doi.org/10.1080/00268976.2015.1133859

We present a generalisation of the electron localisation function (ELF) to current-density-functional theory as a descriptor for the properties of molecules in the presence of magnetic fields. The resulting current ELF (cELF) is examined for a range... Read More about Electron localisation function in current-density-functional theory.