Second-Order Density Matrix for a Spin-Projected Single Determinant
- 1 May 1967
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 46 (9), 3639-3648
- https://doi.org/10.1063/1.1841267
Abstract
We have obtained the irreducible tensorial components of the second‐order density matrix corresponding to a spin‐projected, single‐determinantal function. The results are applicable to projected‐unrestricted or spin‐extended SCF functions. The natural basis set for the problem is provided by the eigenfunctions of the first‐order charge density matrix.Keywords
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