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Results tagged with tight-binding
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user 10556
1
vote
Slater-Koster parameter
You can deduce this by looking at the pictures.
On the left the energy is lower than on the right, because the +-parts repel each other. If you assume $V_{sp\sigma}$ to be positive it is calculated f …
- 486
2
votes
0
answers
381
views
Hopping integral for Hydrogen chain
When calculating a hydrogen chain in the tight binding approx., one comes across the hopping integral:
$<m+1|V_{m+1}|m>$
Where $|m>$ is the 1s-Wavefunction at position m and $V_m$ is the coulmb potent …
- 486