Natural Spin-Orbitals and Generalized Overlap Amplitudes
- 1 April 1970
- journal article
- research article
- Published by AIP Publishing in Journal of Mathematical Physics
- Vol. 11 (4) , 1313-1317
- https://doi.org/10.1063/1.1665261
Abstract
The generalized overlap amplitudes for ``hole'' states which appear in the one‐particle Green's function are, in general, not linearly independent. We show that canonical orthonormalization of them yields the natural spin‐orbitals (eigenfunctions of the first‐order reduced density matrix).Keywords
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