Density-matrix functional theory for the N-particle ground state
- 15 June 1985
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 82 (12) , 5604-5607
- https://doi.org/10.1063/1.448595
Abstract
We discuss the one‐particle density‐matrix functional theory for the N‐particle ground‐state problem. Using the variational principle we obtain a set of self‐consistent equations which could be useful for practical calculations. The derived relation between the eigenvalues of the density matrix and the chemical potential agrees with that of Gilbert. The present theory is compared with the Kohn–Sham and the Hartree–Fock approach to the ground state problem. It is found that both approaches can be obtained from the present theory under certain assumptions.Keywords
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