699 citations · 704 across the 2 of their papers we have counts for
3 papers
cond-mat.stat-mech2020
Renormalized site density functional theory
Gennady N. Chuev, Marina V. Fedotova, Marat Valiev
Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems…
physics.chem-ph2020★ 699 cited
NWChem: Past, Present, and Future
E. Aprà, E. J. Bylaska, W. A. de Jong +111
Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts…
cond-mat.str-el1997★ 5 cited
Generalized Kohn-Sham Density-Functional Theory via Effective Action Formalism
M. Valiev, G. W. Fernando
We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on p…