Answers are grounded in this paper and cite their sources.
The use of self-consistent band calculations to understand the electronic structure of solids is reviewed. The formal basis for the approach is first examined to emphasise that not all band calculations are applications of the same theory. Similarly the critical points, both fundamental and mundane, of the self-consistency process are examined. Again, the central theme is the idea that perhaps some aspects of the self-consistent calculation are not completely established. On the other hand, band structure technique, while still developing, has been rather well explored. Thus one can examine it from the general point of view of seeing what the various techniques imply about the nature of the band structure problem. Finally, some applications of self-consistent band structure calculations are examined.
No takes yet. Share an insight, caveat, or question.
D. D. Koelling (1981) studied this question.
Synapse has enriched 10 related papers. Consider them for comparative context: