ISSN:
1432-2234
Schlagwort(e):
Symmetric orthogonalisation
;
Momentum space
Quelle:
Springer Online Journal Archives 1860-2000
Thema:
Chemie und Pharmazie
Notizen:
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.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1007/BF01126611
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