double excPZ(double rs) double excpPZ(double rs)Return values:
- exc: value of Perdew-Zunger form for
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- excp: value of Perdew-Zunger form for
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Input:
- rs: value of
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As described in lecture, the literature specifies the
exchange-correlation energy per electron
as a
function of the average distance between electrons
. Perdew and
Zunger (Phys. Rev. B 23, 5048 (1981).) gave one of the
earlier, simplest forms for
,
where Table 1 gives the values of the constant coefficients.
Table: Table of coefficients for Perdew-Zunger form (3) of the
local exchange correlation functional.
Write routines of the two above two prototypes which compute
and
for the Perdew-Zunger form.