Numerical study of the bi-variational SCF method as a zeroth order dilated electron propagator
Eigenvalues of a bi-variationally obtained effective Hamiltonian are studied as the poles of a zeroth order dilated electron propagator. Their role as the zeroth order estimate of resonance energies and widths in the iterative solution of the dilated electron propagator equations is stressed. Applic...
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Veröffentlicht in: | J. Chem. Phys.; (United States) 1983-12, Vol.79 (11), p.5494-5504 |
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Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
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Online-Zugang: | Volltext |
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Zusammenfassung: | Eigenvalues of a bi-variationally obtained effective Hamiltonian are studied as the poles of a zeroth order dilated electron propagator. Their role as the zeroth order estimate of resonance energies and widths in the iterative solution of the dilated electron propagator equations is stressed. Applications to the Be atom are presented. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.445667 |