The energy landscape approach for the thermodynamics of liquids to account for saddle points was analyzed. The scaling behavior of saddles with system size and several approximations for the properties of low-order saddles were derived by considering the extensive nature of macroscopic potential energies. The canonical partition function was casted in a saddle-explicit form. A rigorous energy landscape approach capable of reproducing trends observed in simulations, in particular, the temperature dependence of the energy and fractional order of sampled saddles was developed.
|Original language||English (US)|
|Number of pages||4|
|Journal||Physical review letters|
|State||Published - Jan 23 2004|
All Science Journal Classification (ASJC) codes
- Physics and Astronomy(all)