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Logarithmic matrix function expansion

In 1973 Andersen and Woolley [1.25] extended the LCMTO method to molecular calculations. At the end of their paper they introduced that choice of MTO tail, i.e. proportional to J = 9i/j/9E, which in a natural fashion ensured orthogonality to the core states and at the same time led to an accurate and elegant formulation of linear methods. The resulting, technique was immediately developed in a paper by Andersen [1.26] which, in a condensed form, contains most of what one need know about the simple concepts of linear band theory. Thus, we find here the KKR equation within the atomic-sphere approximation at this stage is called ASM the LCMTO secular matrix, latter called the LMTO matrix the energy-independent structure constants and the canonical bands and the Laurent expansion of the logarithmic-derivative function and the corresponding potential parameters. [Pg.21]


See other pages where Logarithmic matrix function expansion is mentioned: [Pg.94]    [Pg.94]    [Pg.57]    [Pg.110]    [Pg.302]    [Pg.342]    [Pg.94]   
See also in sourсe #XX -- [ Pg.94 ]




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