Reply to comment on 'Density-functional theory of solid-to-solid isostructural transitions'

Density functional theory in the solid state.

Density functional theory (DFT) has been used in many fields of the physical sciences, but none so successfully as in the solid state. From its origins in condensed matter physics, it has expanded into materials science, high-pressure physics and mineralogy, solid-state chemistry and more, powering entire computational subdisciplines. Modern DFT simulation codes can calculate a vast range of st...

Nematic-Smectic A and Nematic-Solid Transitions of Parallel Hard Spherocylinders from Density Functional Theory

A simple density functional theory for the various liquid-crystalline phases of parallel hard spherocylinders is formulated on the basis of Pynn's ansatz for the direct correlation function of the spherocylinders. Fair agreement with the computer simulations is found. It was Onsager [1] who showed for the first time that a nematic liquid crystalline phase can be formed, above a certain density,...

Reply to "Comment on 'Total-energy calculations of solid H, Li, Na, K, Rb, and Cs' "

Dynamic density functional theory of solid tumor growth: Preliminary models.

Cancer is a disease that can be seen as a complex system whose dynamics and growth result from nonlinear processes coupled across wide ranges of spatio-temporal scales. The current mathematical modeling literature addresses issues at various scales but the development of theoretical methodologies capable of bridging gaps across scales needs further study. We present a new theoretical framework ...

Fluid-solid transition in simple systems using density functional theory.

A free energy functional for a crystal which contains both the symmetry-conserved and symmetry-broken parts of the direct pair correlation function has been used to investigate the fluid-solid transition in systems interacting via purely repulsive Weeks-Chandler-Anderson Lennard-Jones potential and the full Lennard-Jones potential. The results found for freezing parameters for the fluid-face ce...