Abstract

Explicit kinetic-energy density functionals for noninteracting electron systems that are based on reproducing the linear response function in the homogeneous limit are the most accurate approximations to the exact Kohn-Sham functional. In this work we study several such models for one-dimensional systems. In this case, the geometrical simplicity allows the calculation of the static linear response resulting from these functionals for inhomogeneous systems. Likewise, the discussion of the energies and density profiles obtained is easier and clearer than that for more realistic problems. Special attention is paid to the application of explicit kinetic energy functionals to systems with odd and noninteger number of particles.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.