56 citations · 253 across the 22 of their papers we have counts for
3 papers · 1 filter
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…
An improved model for the transit entropy of monatomic liquids
Duane C. Wallace, Eric D. Chisolm, Nicolas Bock
In the original formulation of vibration-transit (V-T) theory for monatomic liquid dynamics, the transit contribution to entropy was taken to be a universal constant, calibrated to…