Comment on the exchange-energy formula of Ghosh and Parr: A new derivation applicable to molecules
- 1 November 1986
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 34 (5) , 4480-4481
- https://doi.org/10.1103/physreva.34.4480
Abstract
Recently Ghosh and Parr [S. K. Ghosh and R. G. Parr, Phys. Rev. A 34, 785 (1986)] have developed a new nonlocal exchange functional given by K(ρ)=(π/2) F (r)β(r)dr. Using the spherical average of the exchange hole, we redefine β(r) using (r,ρ)=Tr(t→) where t→ is the kinetic energy density tensor matrix. We then obtain the same formula whatever the symmetry of the system.
Keywords
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