34
converge,
|
nτ(r) = Yj ∖ui(r)∖2fβ(Ei'), |
(3.7a) |
|
∏ι(r) = X Iv,(r)∣2∕∕s(-E1 i |
(3.7b) |
|
τ↑(r) = ∣Vn,∙(r)∣2Jj⅛(E,∙), i |
(3.7c) |
|
τi(r)=2∣Vv,(r)∣2∕8(-Ei), |
(3.7d) |
|
V(r)= 2jm∕<γ)v,(γ)------2------’ i |
(3.7e) |
|
ʌ(r) = - ge#(r)y(r), |
(3∙7f) |
where geff is the regularized pairing strength, which satisfies
_l_s(n,+n;)H_A (38)
geff r(χ)
As in the regular DFT theory, the key for the success is to find an appropriate density
energy functional and the simplest ASLDA energy functional is as following [37] :
(3.9)
where the aσ, β and 1 ∕γ as in geff above are dimensionless parameters, which can be deter-
mined by fitting the energy functional with the data from ab initio quantum Monte Carlo
calculations [37]. Here aσ represents the ratio of the effective mass to the bare atomic
mass. From the QMC results, we know that the effective mass is very close to the bare
mass, hence we take aσ = 1.