Library

X
feed icon rss

Your email was sent successfully. Check your inbox.

An error occurred while sending the email. Please try again.

Proceed reservation?

Export
back to result list
  • 1
    Electronic Resource
    Electronic Resource
    Pathological aspects of restricted Hartree-Fock band calculations for metallic chains (1987)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 32 (1987), S. 115-129 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: By analyzing the convergence properties of the lattice sums in the exchange part of the restricted Hartree-Fock orbital energy, we isolate the source of the nonanalytic behavior of a partially occupied band at the Fermi energy. This analysis shows how an extended system behaves qualitatively differently from a finite system but also provides a possibility of following the development of nonanalyticity as the size of the system grows.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560320715
    Library Location Call Number Volume/Issue/Year Availability
    BibTip Others were also interested in ...
    Paper (German National Licenses)
    Fulltext
Close ⊗
This website uses cookies and the analysis tool Matomo. More information can be found here...