qwwad_ef_donor_generic: Add a central-cell correction option

Bug #1393229 reported by Alex Valavanis
6
This bug affects 1 person
Affects Status Importance Assigned to Milestone
Quantum wells, wires and dots
Triaged
Wishlist
Unassigned

Bug Description

Section 5.6 of QWWAD3 describes a central-cell correction to the permittivity, which affects the I4 integral. This could be added reasonably easily as an option to the SchroedingerSolverDonor class (and implemented subclasses).

class SchroedingerSolverDonor
{
public:
void set_screening_length(const double length);

private:
double screening_length;
bool use_central_cell_correction;
}

If the screening length is set, the I4 integral can be computed differently, such that the screening is taken into account. If not, it is computed as normal.

summary: - Add a central-cell correction option to qwwad_find_donor_state
+ qwwad_ef_donor_generic: Add a central-cell correction option
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