Combined quantum-mechanical and Calphad approach to description of heat capacity of pure elements below room temperature

Einstein temperature (TE) was determined by fitting of experimental heat capacity data by the Einstein function only which ensures that it will represent the harmonic vibrational Gibbs energy only. The values of the electronic and anharmonic contributions to Gibbs energy (heat capacity) of 51 elements in stable state are determined by fitting the parameters of polynomials describing these contributions to SGTE data at Tlim. Polynomials published by Chen and Sundman (2001) were used. Parameters a, b, and c of those polynomials have a particular physical meaning in the temperature interval (0