43 citations · 43 across the 1 of their papers we have counts for
5 papers
Local pressure for inhomogeneous fluids
James Dufty, Jeffrey Wrighton, Kai Luo
Definitions for a local pressure in an inhomogeneous fluid are considered for both equilibrium and local equilibrium states. Thermodynamic and mechanical (hydrodynamic) contexts ar…
Generalized hydrodynamics revisited
James Dufty, Kai Luo, Jeffrey Wrighton
During the past decade a number of attempts to formulate a continuum description of complex states of matter have been proposed to circumvent more cumbersome many-body and simulati…
Towards accurate orbital-free simulations: a generalized gradient approximation for the non-interacting free energy density functional
Kai Luo, Valentin V. Karasiev, S. B. Trickey
For orbital-free {\it ab initio} molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient a…
A Simple Generalized Gradient Approximation for the Non-interacting Kinetic Energy Density Functional
K. Luo, V. V. Karasiev, S. B. Trickey
A simple, novel, non-empirical, constraint-based orbital-free generalized gradient approximation (GGA) non-interacting kinetic energy density functional is presented along with ill…
Density Response from Kinetic Theory and Time Dependent Density Functional Theory for Matter Under Extreme Conditions
James Dufty, Kai Luo, S. B. Trickey
The density linear response function for an inhomogeneous system of electrons in equilibrium with an array of fixed ions is considered. Two routes to its evaluation for extreme con…