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Imposing condition (1), we need
:
Solve for the coefficients
to obtain
- Recover an existing
method
based upon the purifying transformation
.
- Repeating the procedure for positive-definite
density-matrices leads to the Ordejón-Mauri
functional
![[*]](footnote.png)
![$^{,}$](img40.png)
.
Peter D. Haynes
2001-11-19