Rapidly calculating the partition function of macroscopic systems*

Project supported by the Specialized Research Fund for the Doctoral Program of Higher Education, China (Grant No. 20130071110018) and the National Natural Science Foundation of China (Grant No. 11274073).

Li Jing-Tian1, Ning Bo-Yuan2, Gong Le-Cheng1, Zhuang Jun2, Ning Xi-Jing1, †
       

(color online) (a) The internal energy and (b) the expansion work at different temperature T from MD simulations (dot) and our method (solid line) for the systems composed of 500, 864, 1000 Ar atoms in a density of (gaseous state, denoted by G) or (liquid state, denoted by L). The internal energy for the liquid state was shifted by 60 eV for clear displaying.