Hohenberg-Kohn kernel K(r-r’)
- 15 July 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 36 (3) , 1775-1778
- https://doi.org/10.1103/physrevb.36.1775
Abstract
In a classic paper Hohenberg and Kohn wrote the energy of an electron gas as a functional of the charge density n(r): E[n]= F v(r)n(r)dr+(1/2 F [n(r)n(r’)/‖r-r’‖]dr dr’+G[n]. For a gas of almost constant density, n(r)=+ñ(r) with ñ(r)/≪1 they expanded G[n]=G[]+ F K(r-r’)ñ(r)ñ(r’)dr dr’+.... The kernel K(r) may be written as a sum of kinetic, exchange, and correlation terms, K(r)=(r)+(r)+(r). We present here graphs of (r) and (r) which are exact to within our numerical accuracy.
Keywords
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