145 citations · 241 across the 3 of their papers we have counts for
3 papers
Classical density-functional theory for water
Sahak A. Petrosyan, David Roundy, Jean-Francois Briere +1
We introduce a new computationally efficient and accurate classical density-functional theory for water and apply it to hydration of hard spheres and inert gas atoms. We find good…
Joint density-functional theory for electronic structure of solvated systems
Sahak Petrosyan, Jean-Francois Briere, David Roundy +1
We introduce a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a molecular liquid environment. This theory rigorousl…
Ab initio theory of CrO surface chemistry in solution
S. Petrosyan, A. A. Rigos, T. A. Arias
Using a new form of density functional theory for the {\em ab initio} description of electronic systems in contact with a dielectric environment, we present the first detailed stud…