1 citations · 1 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2007★ 1 cited
Environment Dependent Charge Potential for Water
Krishna Muralidharan, Steven M. Valone, Susan R. Atlas
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer…
cond-mat.mtrl-sci2000
Some Fundamental Properties of the Integer-States in Open-System, Ensemble Energy-Density Functional Theories
Steven M. Valone
Ensemble averages are an approximation technique for connecting macroscopic and microscopic properties of a system. For systems open with respect to exchange of particles with a ba…
cond-mat.mtrl-sci1999
Identification of the Chemical Potential of an Open System at 0 K with Functional Derivatives of the Integer-State Energy Density Functionals
Steven M. Valone
Open-system density functional theory may be formulated in terms of ensemble averages arising from interaction with a bath. The system is allowed to exchange particles with the bat…