IntroductionThe knowledge of physical-chemical properties of melts containing transition metals plays an important role for investigations of metallurgical processes and understanding the characteristics of produced steels and alloys. Among different theoretical approaches for studying the melts of transition metals (for example, at last years, [1][2][3][4][5][6][7][8]; see also the review [9]), the Wills-Harrison (WH) approach [10] is one of the most successful. The WH model is based on the Harrison-Froyen [11] approximation which introduces some elements of the muffin-tin orbital theory [12] into transition-metal pseudopotential theory [13,14], the rectangular model for density of d states [15] and the simple-metal pseudopotential theory which works in the framework of the nearly-free-electron (NFE) approximation [16].In works [10,11] the diagonal matrix elements with respect to the magnet quantum number, m, between d states of neighboring atoms are taken into account only. It is truly in the case of the rotational symmetry with axis along the interatomic distance. Since the d-electron contribution to the potential energy, d