45 citations · 71 across the 2 of their papers we have counts for
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physics.chem-ph2013★ 45 cited
Density-Dependent Onset of the Long-Range Exchange: A Key to Donor-Acceptor Properties
Marcin Modrzejewski, Grzegorz Chałasiński, Małgorzata M. Szczęśniak
Quantum mechanical methods based on the density functional theory (DFT) offer a realistic possibility of first-principles design of organic donor-acceptor systems and engineered ba…
physics.chem-ph2009★ 26 cited
Derivation of the Supermolecular Interaction Energy from the Monomer Densities in the Density Functional Theory
Łukasz Rajchel, Piotr S. Żuchowski, Małgorzata M. Szcześniak +1
The density functional theory (DFT) interaction energy of a dimer is rigorously derived from the monomer densities. To this end, the supermolecular energy bifunctional is formulate…