680 citations · 2.1k across the 21 of their papers we have counts for
21 papers
A well-scaling natural orbital theory
Ralph Gebauer, Morrel H. Cohen, Roberto Car
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their join…
A favorably-scaling natural-orbital functional theory based on higher-order occupation probabilities
Ralph Gebauer, Morrel H. Cohen, Roberto Car
We introduce a novel energy functional for ground-state electronic-structure calculations. Its fundamental variables are the natural spin-orbitals of the implied singlet many-body…
Partition Density Functional Theory
Peter Elliott, Kieron Burke, Morrel H. Cohen +1
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global p…
Charge Transfer in Partition Theory
Morrel H. Cohen, Adam Wasserman, Roberto Car +1
The recently proposed Partition Theory (PT) [J.Phys.Chem.A 111, 2229 (2007)] is illustrated on a simple one-dimensional model of a heteronuclear diatomic molecule. It is shown that…
Partition theory: A very simple illustration
Morrel H. Cohen, Adam Wasserman, Kieron Burke
We illustrate the main features of a recently proposed method based on ensemble density functional theory to divide rigorously a complex molecular system into its parts [M.H. Cohen…
Self assembly of a model multicellular organism resembling the Dictyostelium slime molds
Graeme J. Ackland, Richard D. L. Hanes, Morrel H. Cohen
The evolution of multicellular organisms from monocellular ancestors represents one of the greatest advances of the history of life. The assembly of such multicellular organisms re…