Partition Density Functional Theory

Details Partition Density Functional Theory Partition Density Functional Theory

2009-01-08

arxiv.org/abs/0901.0942v2

Phys. Rev. A 82, 024501 (2010)

Physics

Condensed Matter

Other Condensed Matter

Revised version. 5 pages, 3 figures

Scientific paper

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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