- #1
amir11
- 22
- 0
I am trying to calculate the excionic and biexcitonic energies in quantum dots using Configuration interaction method. I tried to calculate the two electron integrals for configuration interaction method. The integrals are of the form:
[tex]\int\int dr_1 dr_2 \Psi_1(r_1) \Psi_2(r_2)1/(r_1-r_2)\Psi_3(r_1)\Psi_4(r_2)[/tex]
This integral for sure has singularities because of the [tex]1/(r_1-r_2)[/tex] term. I would be grateful if someone could help me understand how these singularities are treated.
Is there any code were I can find a routine for calculation of these integrals?
Many thanks for your time and attention.
[tex]\int\int dr_1 dr_2 \Psi_1(r_1) \Psi_2(r_2)1/(r_1-r_2)\Psi_3(r_1)\Psi_4(r_2)[/tex]
This integral for sure has singularities because of the [tex]1/(r_1-r_2)[/tex] term. I would be grateful if someone could help me understand how these singularities are treated.
Is there any code were I can find a routine for calculation of these integrals?
Many thanks for your time and attention.