The use of the repulsive potential in the quantum theory of solids

A new method is proposed for calculating the energy in certain special points of the Brillouin zone. The wave functions of valence and conduction electrons are given in the form of the linear combination of plane waves and the orthogonality condition of these functions to the wave functions of lower states is replaced by the repulsive potential. The practical application of this very simple method is illustrated on the energy spectrum of silicon in the centre of the Brillouin zone. It is proved that the results are comparable with some other methods, e. g. the orthogonalized plane-wave method.

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The basic thesis of this paper, together with concrete calculation of the energy spectrum of diamond, was delivered at the Czechoslovak-Polish conference in Sopoty in November 1956.

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In conclusion the autor would like to thank K. Trnková for carrying out the numerical calculations.