Convexity and translational invariance constraint on the exchange-correlation functional

Details Convexity and translational invariance constraint on the exchange-correlation functional Convexity and translational invariance constraint on the exchange-correlation functional

1996-02-13

arxiv.org/abs/cond-mat/9602069v1

Physics

Condensed Matter

5 pages, REVTeX, to appear in Phys. Rev. A

Scientific paper

10.1103/PhysRevA.54.961

Knowledge of the properties of the exchange-correlation functional in the form $\frac 1\lambda v_{xc}([\rho _\lambda ],\frac{{\bf r}}\lambda )$, where $\rho _\lambda ({\bf r})=$ $\lambda ^3\rho (\lambda {\bf r}),$ is important when expressing the exchange-correlation energy as a line integral $% E_{xc}[\rho ]=\int_0^1d\lambda \int d{\bf r}\frac 1\lambda v_{xc}([\rho _\lambda ],\frac{{\bf r}}\lambda )\left[ 3\rho ({\bf r})+{\bf r.\nabla }\rho ({\bf r})\right] $ (van Leeuwen and Baerends, Phys. Rev. A {\bf 51}, 170 (1995)). With this in mind, it is shown that in the low density limit $% \lim_{\lambda \rightarrow 0}\int \rho ({\bf r})\nabla ^2\frac 1\lambda v_{xc}([\rho _\lambda ],\frac{{\bf r}}\lambda )\ d^3r\leq 4\pi \int \rho (% {\bf r})^2d^3r.$ This inequality is violated in the local-density approximation.

Affiliated with

Also associated with

No associations

Rating

Convexity and translational invariance constraint on the exchange-correlation functional does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Convexity and translational invariance constraint on the exchange-correlation functional, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Convexity and translational invariance constraint on the exchange-correlation functional will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-298606