56 citations · 338 across the 25 of their papers we have counts for
25 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…
V-T theory for the Self-Intermediate Scattering Function in a Monatomic Liquid
Duane C. Wallace, Eric D. Chisolm, Giulia De Lorenzi-Venneri
In V-T theory the atomic motion is harmonic vibrations in a liquid-specific potential energy valley, plus transits, which move the system rapidly among the multitude of such valley…
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…
Thermal electronic excitations in liquid metals
Eric D. Chisolm, Nicolas Bock, Sven P. Rudin +1
Thermal electronic excitations in metal crystals are calculated by starting with a reference structure for the nuclei: the crystal structure of the appropriate phase. Here we expla…
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…