5.46.1. xc.lda_xc_corr_ksdt.Zeta0Coeffs

class eminus.xc.lda_xc_corr_ksdt.Zeta0Coeffs(theta: float, omega: float = 1, e1: float = 0.255415, e2: float = 0.931933, e3: float = 0.115398, e4: float = 17.234117, e5: float = 0.451437, d1: float = 0.725917, d2: float = 2.237347, d3: float = 0.280748, d4: float = 4.185911, d5: float = 0.692183, c1: float = 0.87513, c2: float = -0.25632, c3: float = 0.953988, b1: float = 0.342554, b2: float = 9.141315, b3: float = 0.448483, b4: float = 18.553096, a1: float = 0.75, a2: float = 3.04363, a3: float = -0.09227, a4: float = 1.7035, a5: float = 8.31051, a6: float = 5.1105)[source]

Coefficient class using the parameters for zeta=0.

Reference: Phys. Rev. Lett. 120, 076401.

Attributes

a

Calculate a.

a0

Calculate a0.

a1

a2

a3

a4

a5

a6

b

Calculate b.

b1

b2

b3

b4

b5

Calculate b5.

c

Calculate c.

c1

c2

c3

d

Calculate d.

d1

d2

d3

d4

d5

dadtheta

Calculate da / dtheta.

dbdtheta

Calculate db / dtheta.

dcdtheta

Calculate dc / dtheta.

dddtheta

Calculate dd / dtheta.

dedtheta

Calculate de / dtheta.

e

Calculate e.

e1

e2

e3

e4

e5

omega

theta

Reduced temperature.