Ordering, correlation functions and phase transitions in molecular systems (opens in new tab)

Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy functionals proposed in the past failed to give accurate description of relative stability of phases, phase transitions, and of properties arising due to broken symmetry. In a DFT pair correlation functions (PCFs) play...