23 citations · 68 across the 6 of their papers we have counts for
6 papers
Temperature dependence of dynamic slowing down in monatomic liquids from V-T theory
Duane C. Wallace, Giulia De Lorenzi-Venneri
For an MD system representing a monatomic liquid, the distribution of -dimensional potential energy structures consists of two classes, random and symmetric. This distribution…
Atomic Motion from the Mean Square Displacement in a Monatomic Liquid
Duane C. Wallace, Giulia De Lorenzi-Venneri, Eric D. Chisolm
V-T theory is constructed in the many-body Hamiltonian formulation, and differs at the foundation from current liquid dynamics theories. In V-T theory the liquid atomic motion cons…
Application of vibration-transit theory to distinct dynamic response for a monatomic liquid
Duane C. Wallace, Eric D. Chisolm, Giulia De Lorenzi-Venneri
We examine the distinct part of the density autocorrelation function Fd(q,t), also called the intermediate scattering function, from the point of view of the vibration-transit (V-T…
Liquid state properties from first principles DFT calculations: Static properties
Nicolas Bock, Erik Holmstrom, Travis B. Peery +4
In order to test the Vibration-Transit (V-T) theory of liquid dynamics, ab initio density functional theory (DFT) calculations of thermodynamic properties of Na and Cu are performe…
Statistical mechanics model for the transit free energy of monatomic liquids
Duane C. Wallace, Eric D. Chisolm, N. Bock +1
In applying Vibration-Transit (V-T) theory of liquid dynamics to the thermodynamic properties of monatomic liquids, the point has been reached where an improved model is needed for…
An \emph{ab initio} method for locating characteristic potential energy minima of liquids
E. Holmstrom, N. Bock, Travis B. Peery +4
It is possible in principle to probe the many--atom potential surface using density functional theory (DFT). This will allow us to apply DFT to the Hamiltonian formulation of atomi…