N. E. Dubinin, G. M. Bhuiyan, F. I. Abbas
ABSTRACT
The Wills–Harrison effective pair interaction in liquid Au near the melting temperature is studied. It is found that its dependency on the portion of the non-diagonal, with respect to the magnet quantum number, d-electron couplings between two neighboring atoms has another behavior than in melts of 3dCtransition metals.
KEYWORDS
gold, liquid noble metal, Wills–Harrison effective pair interaction, Bretonnet–Silbert model pseudopotential, d–d-electron couplings
DOI: 10.1134/S0235010619040029