Entropy Multiparticle Correlation Expansion for a Crystal

Abstract

As first shown by H. S. Green in 1952, the entropy of a classical fluid of identical particles can be written as a sum of many-particle contributions, each of them being a distinctive functional of all spatial distribution functions up to a given order. By revisiting the combinatorial derivation of the entropy formula, we argue that a similar correlation expansion holds for the entropy of a crystalline system. We discuss how one- and two-body entropies scale with the size of the crystal, and provide fresh numerical data to check the expectation, grounded in theoretical arguments, that both entropies are extensive quantities.

Keywords

• entropy multiparticle correlation expansion
• one- and two-body density functions
• one- and two-body entropy