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Facelli, J. C., Contreras, R. H. (1982) Comment on ‘‘Intrinsic convergence in close‐shell SCF calculations. A general criterion’’. The Journal of Chemical Physics, 77 (2) 1076-1077 doi:10.1063/1.443922

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Reference TypeJournal (article/letter/editorial)
TitleComment on ‘‘Intrinsic convergence in close‐shell SCF calculations. A general criterion’’
JournalThe Journal of Chemical Physics
AuthorsFacelli, J. C.Author
Contreras, R. H.Author
Year1982 (July 15)Volume77
Issue2
PublisherAIP Publishing
DOIdoi:10.1063/1.443922Search in ResearchGate
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Mindat Ref. ID2139348Long-form Identifiermindat:1:5:2139348:6
GUID0
Full ReferenceFacelli, J. C., Contreras, R. H. (1982) Comment on ‘‘Intrinsic convergence in close‐shell SCF calculations. A general criterion’’. The Journal of Chemical Physics, 77 (2) 1076-1077 doi:10.1063/1.443922
Plain TextFacelli, J. C., Contreras, R. H. (1982) Comment on ‘‘Intrinsic convergence in close‐shell SCF calculations. A general criterion’’. The Journal of Chemical Physics, 77 (2) 1076-1077 doi:10.1063/1.443922
In(1982, July) The Journal of Chemical Physics Vol. 77 (2) AIP Publishing

See Also

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Facelli, J. C., Contreras, R. H. (1983) A general relation between the intrinsic convergence properties of SCF Hartree–Fock calculations and the stability conditions of their solutions. The Journal of Chemical Physics, 79 (7) 3421-3423 doi:10.1063/1.446190
Stanton, Richard E. (1981) Intrinsic convergence in closed‐shell SCF calculations. A general criterion. The Journal of Chemical Physics, 75 (11) 5416-5422 doi:10.1063/1.441942
Brown, Thomas H., Myszkowski, William F. (1970) Rapid Convergence in Open‐Shell SCF π‐Electron Calculations. The Journal of Chemical Physics, 52 (9) 4918-4920 doi:10.1063/1.1673742
Stanton, Richard E. (1981) The existence and cure of intrinsic divergence in closed shell SCF calculations. The Journal of Chemical Physics, 75 (7) 3426-3432 doi:10.1063/1.442451
King, Harry F., Komornicki, Andrew (1987) Comment on: Analytic computation of energy derivatives. The Journal of Chemical Physics, 86 (2). 1076-1077 doi:10.1063/1.452299
Dannenberg, J. J., Coope, J. A. R. (1968) SCF Calculations without SCF Equations. The Journal of Chemical Physics, 48 (11) 5278-5279 doi:10.1063/1.1668209
CONTRERAS, R. H., DE KOWALEWSKI, D. G., FACELLI, J. C. (1982) ChemInform Abstract: The NMR Analysis of the Methoxy-Group Conformation in 4-Methoxy-2-nitroaniline. Chemischer Informationsdienst, 13 (31) doi:10.1002/chin.198231061
Carbó, R., Hernández, J.A., Sanz, F. (1977) Unconditional convergence in SCF theory: a general level shift technique. Chemical Physics Letters, 47. 581-583 doi:10.1016/0009-2614(77)85046-x
Crowell, A. D. (1982) Comment on ‘‘Dispersion induced dipole moments’’. The Journal of Chemical Physics, 77 (2) 1072-1073 doi:10.1063/1.443909
Poon, Y. M., Newman, D. J. (1982) Parametrization of the CsNpF6 optical spectrum. The Journal of Chemical Physics, 77 (2) 1077-1079 doi:10.1063/1.443923
Boring, Michael, Wood, J. H. (1979) A note on SCF calculations of valence levels in heavy molecules. The Journal of Chemical Physics, 71 (1) 392-399 doi:10.1063/1.438083
 
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