Theoretical Investigation of Thermodynamical and Structural Properties of 3d Liquid Transition Metals Using Different Reference Systems

Table 2

Calculated variational parameter (packing fraction 𝜂 and plasma parameter Γ) due to different local field correction functions like Hartree (HR) [63], Taylor (TR) [64], and Sarkar et al. (SR) [65] of 3d liquid transition metals.

Metal	S(q)	Packing fraction (η)					Plasma parameter (Γ)
		HR [63]	TR [64]	SR [65]	Others; [34, 45, 48, 50]	Expt. [67]	HR [63]	TR [64]	SR [65]	Others [44, 45, 56]
Sc	PYHS	0.4395	0.4295	0.4292	0.353, 0.330, 0.325, 0.430	0.43	66	68	68	—
	CHS	0.4302	0.4294	0.4299
Ti	PYHS	0.4323	0.4317	0.4314	0.415, 0.415, 0.418, 0.362	0.44	70	72	72	110, 105
	CHS	0.4330	0.4348	0.4337
V	PYHS	0.4442	0.4338	0.4335	0.418, 0.420, 0.425, 0.374	0.44	64	64	64	110, 105
	CHS	0.4312	0.4291	0.4316
Cr	PYHS	0.4406	0.4389	0.4394	0.443, 0.445, 0.445, 0.380	0.45	68	68	66	110, 105
	CHS	0.4347	0.4365	0.4349
Mn	PYHS	0.4662	0.4665	0.4658	0.500, 0.508, 0.515, 0.404	0.45	96	96	96	110, 105
	CHS	0.4648	0.4619	0.4630
Fe	PYHS	0.4551	0.4549	0.4553	0.435, 0.430, 0.389, 0.411	0.44	86	86	88	110, 105
	CHS	0.4585	0.4581	0.4569
Co	PYHS	0.4547	0.4548	0.4540	0.420, 0.405, 0.400, 0.370	0.45	74	74	72	110, 105
	CHS	0.4582	0.4606	0.4630
Ni	PYHS	0.4572	0.4562	0.4566	0.405, 0.380, 0.373, 0.351	0.45	88	88	88	110, 105
	CHS	0.4614	0.4631	0.4619
Cu	PYHS	0.4764	0.4766	0.4758	0.418, 0.383, 0.370, 0.450	0.46	106	106	106	—
	CHS	0.4842	0.4840	0.4845