Partition Density Functional Theory
classification
❄️ cond-mat.other
cond-mat.mtrl-sci
keywords
functionalpartitiondensitytheorycalculatingcalculationsconsequencesdensities
read the original abstract
Partition density functional theory is a formally exact procedure for calculating molecular properties from Kohn-Sham calculations on isolated fragments, interacting via a global partition potential that is a functional of the fragment densities. An example is given and consequences discussed.
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