Volume Derivatives of Potential Parameters

We shall briefly discuss the volume derivatives of a few important potential parameters for a fixed potential. Our starting point is the radial Schrodinger equation in the form 

From the second-order estimates (4.2,9) and the entries in Table 4.1 we 

The first term on the right-hand side may be found from (4.41), the second term from the Laurent expansion (3.32), i.e. 

For the d bands in chromium we find from Table 4.2, v -0.8 Ry, that 2 -5 

9ln(yS )/9ln(S) = 3.2. Hence the ideal behaviour S is somewhat modified when we use frozen potentials. Self-consistent calculations give 2 

---