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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 93, 1998 - Issue 5
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Original Articles

A comparison of finite basis set and finite difference Hartree-Fock calculations for the InF and TlF molecules

Pages 713-725 | Published online: 03 Dec 2010

References

  • Laaksonen , L. , Pyykkö , P. and Sundholm , D. 1983 . Int. J. Quantum Chem. , 23 : 309, 319
  • Laaksonen , L. , Pyykkö , P. and Sundholm , D. 1986 . Comput. Phys. Rep. , 4 : 3
  • Pyykkö , P. 1989 . Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules , NATO ASI Series C271 Edited by: Defrancheschi , M. and Delhalle , J. 161 Dordrecht : Kluwer .
  • Kobus , J. 1993 . Chem. Phys. Lett. , 202 : 7
  • Kobus , J. 1994 . Comput. Phys. Commun. , 78 : 247
  • Kobus , J. , Laaksonen , L. and Sundholm , D. 1996 . Comput. Phys. Commun. , 98 : 346
  • Kobus , J. 1997 . Adv. Quantum Chem. , 28 : 1
  • Wells , B. H. and Wilson , S. 1985 . J. Phys. B , 19 : 17
  • Wells , B. H. and Wilson , S. 1989 . J. Phys. B , 22 : 1285
  • Moncrieff , D. and Wilson , S. 1993 . Chem. Phys. Lett. , 209 : 423
  • Moncrieff , D. and Wilson , S. 1993 . J. Phys. B , 26 : 1605
  • Kobus , J. , Moncrieff , D. and Wilson , S. 1994 . J. Phys. B , 27 : 5139
  • Kobus , J. , Moncrieff , D. and Wilson , S. 1994 . J. Phys. B , 27 : 2867
  • Moncrieff , D. , Kobus , J. and Wilson , S. 1995 . J. Phys. B , 28 : 4555
  • Kobus , J. , Moncrieff , D. and Wilson , S. 1995 . Molec. Phys. , 86 : 1315
  • Moncrieff , D. and Wilson , S. 1996 . J. Phys. B , 29 : 2425
  • Moncrieff , D. and Wilson , S. 1996 . J. Phys. B , 29 : 6009
  • Igel-Mann , G. , Feller , C. , Flad , H.-J. , Savin , A. , Stoll , H. and Preuss , H. 1989 . Molec. Phys. , 68 : 209
  • Schwerdtfeger , P. , Heath , G. A. , Dolg , M. and Bennett , M. A. 1992 . J. Amer. chem. Soc. , 114 : 7518
  • Schwerdtfeger , P. and Ischtwan , J. 1994 . J. molec. Struct. Theochem , 306 : 9
  • Leininger , T. , Nicklass , A. , Stoll , H. , Dolg , M. and Schwerdtfeger , P. 1996 . J. chem. Phys. , 105 : 1052
  • Hoeft , J. and Nair , K. P. R. 1994 . Z. Phys. D , 29 : 203
  • Hensel , K. D. and Gerry , M. C. L. 1997 . J. chem. Soc. Faraday Trans , 93 : 1053
  • Coveney , P. V. and Sandars , P. G. H. 1983 . J. Phys. B , 16 : 3727
  • Wilson , S. , Moncrieff , D. and Kobus , J. 1994 . TlF (1Σ+): Some Preliminary Electronic Structure Calculations , Chilton, Oxon : Rutherford Appleton Laboratory . Report RAL-94-082
  • Cotton , F. A. and Wilkinson , G. 1988 . Advanced Inorganic Chemistry , 5th Edn , New York : Wiley Interscience .
  • Sidgwick , N. V. and Sutton , L. E. 1930 . J. chem. Soc. , : 1461
  • Ketelaar , J. A. A. 1935 . Z. Kristallogr. , 92 : 30
  • Gabuda , S. P. , Kozlova , S. G. and Davidovich , R. L. 1996 . Chem. Phys. Lett. , 263 : 253
  • Ogilvie , J. F. , Liao , S. C. , Uehara , H. and Horiai , K. 1994 . Can. J. Phys. , 72 : 930
  • Parpia , F. 1997 . J. Phys. B , 30 : 3983
  • Sandars , P. G. H. 1967 . Phys. Rev. Lett. , 19 : 1396
  • Sandars , P. G. H. 1984 . Atomic Physics 9 , Edited by: Van Dyck , R. S. Jr. and Fortson , E. N. Singapore : World Scientific .
  • Sandars , P. G. H. 1987 . Physica Scripta , 36 : 904
  • Sandars , P. G. H. 1993 . Physica Scripta , T46 : 16
  • Martennson-Pendrill , A.-M. 1992 . Methods Computational Chemistry , Edited by: Wilson , S. Vol. 5 , New York : Plenum Press . Atomic and Molecular Properties
  • Kozlov , M. G. and Labzowsky , L. N. 1995 . J. Phys B , 28 : 1933
  • Ramsey , N. F. 1982 . Rep. Progr. Phys. , 45 : 95
  • Hinds , E. A. 1975 . D. Phil. thesis , University of Oxford .
  • Hinds , E. A. and Sandars , P. G. H. 1980 . Phys. Rev. A , 21 : 480
  • Flambaum , V. V. and Murray , D. W. 1997 . Phys. Rev. A , 55 : 1736
  • Laerdahl , J. K. , Saue , T. , Fægri , K. and Quiney , H. M. 1997 . Phys. Rev. Lett. , 79 : 1642
  • Huber , K. P. and Herzberg , G. 1979 . Molecular Spectra and Molecular Structure, Constants of Diatomic Molecules , New York : van Nostrand .
  • Klahn , B. 1985 . J. chem. Phys. , 83 : 5748
  • Müntz , H. 1914 . Festschrift H. A. Schwartz 303
  • Szász , O. 1926 . Math. Ann. , 77
  • Wilson , S. 1980 . Theoret. chim. Acta , 58 : 31
  • Schmidt , M. W. and Ruedenberg , K. 1979 . J. chem. Phys. , 71 : 3951
  • Moncrieff , D. and Wilson , S. 1994 . J. Phys. B , 27 : 1
  • Ruedenberg , K. , Raffenetti , R. C. and Bardo , R. 1973 . Energy, Structure and Reactivity , New York : Wiley .
  • Raffenetti , R. C. and Ruedenberg , K. 1973 . J. chem. Phys. , 59 : 5978
  • Raffenetti , R. C. 1973 . J. chem. Phys. , 58 : 4452
  • Raffenetti , R. C. 1973 . J. chem. Phys. , 59 : 5936
  • Bardo , R. D. and Ruedenberg , K. 1973 . J. chem. Phys. , 59 : 5956
  • Bardo , R. D. and Ruedenberg , K. 1973 . J. chem. Phys. , 59 : 5966
  • Bardo , R. D. and Ruedenberg , K. 1974 . J. chem. Phys. , 60 : 918
  • Clementi , E. , Chakravorty , S. J. , Corongiu , G. and Sonnad , V. 1990 . MOTECC-Modern Techniques in Computational Chemistry , Edited by: Clementi , E. Leiden : ESCOM) . Clementi, E., and Corongiu, G., 1982, Chem. Phys. Lett., 90, 359; Clementi, E., and Corongiu, G., 1982, IBM Technical Report POK-11
  • Frisch , M. J. , Trucks , G. W. , Schlegel , H. B. , Gill , P. M. W. , Johnson , B. G. , Robb , M. A. , Cheeseman , J. R. , Keith , T. , Petersson , G. A. , Montgomery , J. A. , Raghavachari , K. , Al-Laham , M. A. , Zakrzewski , V. G. , Ortiz , J. V. , Foresman , J. B. , Cioslowski , J. , Stefanov , B. B. , Nanayakkara , A. , Challacombe , M. , Peng , C. Y. , Ayala , P. Y. , Chen , W. , Wong , M. W. , Andres , J. L. , Replogle , E. S. , Gomperts , R. , Martin , R. L. , Fox , D. L. , Binkley , J. S. , Defrees , D. J. , Baker , J. , Stewart , J. P. , Head- Gordon , M. , Gonzalaz , C. and Pople , J. A. 1995 . Gaussian94 Rev. D.3 , Pittsburgh, PA : Gaussian Inc .
  • Almlöf , J. , Faegri , K. and Korsell , K. 1982 . J. comput. Chem. , 3 : 385
  • Cho , D. , Sangster , K. and Hinds , E. A. 1991 . Phys. Rev. A , 44 : 2783
  • Kobus , J. , Moncrieff , D. and Wilson , S. unpublished ,
  • Dyall , K. G. , Grant , I. P. and Wilson , S. 1984 . J. Phys. B , 17 : 1201
  • Quiney , H. M. , Grant , I. P. and Wilson , S. 1987 . J. Phys. B , 20 : 1413
  • Quiney , H. M. , Grant , I. P. and Wilson , S. 1989 . J. Phys. B , 22 : L15
  • Parpia , F. and Mohanty , A. K. 1995 . Phys. Rev. A , 52 : 962
  • Moncrieff , D. and Wilson , S. 1995 . J. Phys. B , 28 : 4007

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