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Questions related from Anton Filanovich
It is a widely used approach to calculate the equilibrium volume of a solid via minimization of its Gibbs free energy G=F+pV with respect to volume V. For an insulator F(V,T)=E(V)+Fph(V,T), where...
21 August 2024 7,844 2 View
A well-known way to calculate thermodynamic properties of a material at finite temperatures is minimization of the Gibbs free energy, which includes “cold” static energy E(V) calculated by DFT,...
24 October 2018 7,801 2 View
It is known that if we want to calculate some electronic thermodynamic property, like electronic heat capacity Cel at finite temperature, we have to account for temperature dependence of the...
17 June 2016 6,460 1 View
Suppose for some quantity x we have a derivative with respect to temperature (dx/dT)P, i.e. at constant pressure. Can we somehow link it to a derivative with respect to volume, at, let’s say,...
10 February 2015 7,544 3 View
