Abstract
Padé approximants are used to represent the total correlation functional E c γ [ ϱ] and its kinetic-energy component T c γ [ ϱ], where the parameter γ is the electron-electron interaction coupling contstant within the adiabatic connection formalism. The exact relations between E c γ [ ϱ] are emploed to generate the associated T c γ [ ϱ] functional from its parent E c γ [ ϱ] functional. Numerical results (with γ = 1) on the first 18 neutral atoms confirm the soundness of this procedure. It is proved that no local representations of these functionals can be exact for the nonuniform electron gas. However, it is still useful to design local functionals that are as accurate as possible.
Sign-in/Register to access full text options 
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 callDisclaimer: 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.
