论文信息 - The approximate calculation of electronic band structures III

The approximate calculation of electronic band structures III

It has been shown that a method for the approximate calculation of transition-metal band structures originally suggested by Heine can be made to give good accuracy (to about 0?01 ryd) when suitable modifications and refinements are introduced. This method has the advantage as compared with other recently suggested schemes of not involving any adjustable ? parameter and of giving good accuracy using secular equations of minimal size.

J. Hubbard

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