36
Views
12
CrossRef citations to date
0
Altmetric
Original Articles

The Derivation of Shell Model Potentials for MgCl2 From Ab Initio Theory

&
Pages 171-174 | Received 01 Apr 1992, Accepted 01 Apr 1992, Published online: 23 Oct 2006

References

  • Harrison , N. M. and Saunders , V. R. 1992 . The structural properties of β-MgCl2 an ab initio study . J. Phys. CM: Condensed Matter , 4 : 3873 – 3882 .
  • Wyckoff , W. G. 1972 . Crystal Structures , Vol. 2 , New York : Wiley .
  • Pisani , C. , Dovesi , R. and Roetti , C. 1988 . “ Hartree-Fock ab initio treatment of crystalline systems ” . In Lecture Notes In Chemistry , Vol. 48 , Heidelberg : Springer-Verlag .
  • Dovesi , R. , Pisani , C. , Roetti , C. , Causà , M. and Saunders , V. R. 1988 . “ Quantum Chemistry Program Exchange ” . In CRYSTAL88 Program No. 577 , Indiana University, Bloomington, Ind. .
  • Dovesi , R. , Saunders , V. R. and Roetti , C. 1992 . CRYSTAL92: An ab initio LCAO Hartree-Fock program for periodic systems . (in preparation).
  • Hehre , W. J. , Radom , L. , Schleyer , P. R. and Pople , J. A. 1986 . Ab Initio Molecular Orbital Theory , New York : Wiley .
  • West , R. C. and Astle , M. J. , eds. 1981–82 . CRC Handbook of Chemistry and Physics , 62nd edition Vol. m34 , B-115 Florida : CRC Press Inc .

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.