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Electron-electron cusp condition and asymptotic behavior for the Pauli potential in pair density functional theory
1Department of Theoretical Physics, University of Debrecen, Debrecen, Hungary. anagy@madget.atomki.hu
The Journal of Chemical Physics
|March 26, 2008
Abstract:
In the ground state, the pair density n can be determined by solving a single auxiliary equation of a two-particle problem. Electron-electron cusp condition and asymptotic behavior for the Pauli potential of the effective potential of the two-particle equation are presented.
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