Natural Spin-Orbitals and Generalized Overlap Amplitudes
Authors:
- 1 April 1970
- journal article
- Published by AIP Publishing in Journal of Mathematical Physics
- Vol. 11 (4) , 1313-1317
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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