75 citations · 188 across the 4 of their papers we have counts for
4 papers
Exact relations between charge-density functions determining the total Coulomb energy and the dielectric constant for a mixture of neutral and charged site-site molecules
Jocelyn M. Rodgers, John D. Weeks
We extend results developed by Chandler [J. Chem. Phys. 65, 2925 (1976)] for the dielectric constant of neutral site-site molecular models to mixtures of both charged and uncharged…
Local molecular field theory for the treatment of electrostatics
Jocelyn M. Rodgers, John D. Weeks
We examine in detail the theoretical underpinnings of previous successful applications of local molecular field (LMF) theory to charged systems. LMF theory generally accounts for t…
Interplay of local hydrogen-bonding and long-ranged dipolar forces in simulations of confined water
Jocelyn M. Rodgers, John D. Weeks
Spherical truncations of Coulomb interactions in standard models for water permit efficient molecular simulations and can give remarkably accurate results for the structure of the…
Attraction Between Like-Charged Walls: Short-Ranged Simulations Using Local Molecular Field Theory
Jocelyn M. Rodgers, Charanbir Kaur, Yng-Gwei Chen +1
Effective attraction between like-charged walls mediated by counterions is studied using local molecular field (LMF) theory. Monte Carlo simulations of the "mimic system'' given by…