Abstract
In orbital-free density functional theory only a single equation, the so-called Euler equation, has to be solved for any system instead of the Kohn–Sham equations. The Euler equation is a Schrodinger-like equation for the square root of the density. This equation contains an extra potential, the so-called Pauli potential, in addition to the usual Kohn–Sham potential. Equations for the Pauli potential, the relationship of the Pauli potential and Pauli energy are reviewed. A derivation of the Euler equation via density scaling is presented.
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.
