A general relation between the intrinsic convergence properties of SCF Hartree-Fock calculations and the stability conditions of their solutions
In this paper, the convergence criteria given by Stanton [J. Chem. Phys. 75, 5416 (1981)] for the Hartree-Fock SCF calculations of closed-shell systems are generalized for an unrestricted one-determinantal Hartree-Fock SCF calculation. Finally, these criteria are related to the stabi...
Guardado en:
| Autores principales: | Facelli, J.C., Contreras, R.H. |
|---|---|
| Formato: | Artículo publishedVersion |
| Publicado: |
1983
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| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00219606_v79_n7_p3421_Facelli https://repositoriouba.sisbi.uba.ar/gsdl/cgi-bin/library.cgi?a=d&c=artiaex&d=paper_00219606_v79_n7_p3421_Facelli_oai |
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