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  • 1
    Electronic Resource
    Electronic Resource
    Symmetric orthogonalisation in momentum space: A numerical study (1993)
    Springer
    Theoretical chemistry accounts 84 (1993), S. 475-487 
    Details
    ISSN: 1432-2234
    Keywords: Symmetric orthogonalisation ; Momentum space
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Symmetric orthogonalisation is favourable to perform in momentum space, as this article will show. We have used a model of a body centered cubic lattice with 1s- and 2s-Slater orbitals centered at each atom site. Computer programs have been written to calculate the eigenvalues of the overlap matrix which play an important role in constructing symmetrically orthogonalised wavefunctions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01126611
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