All components of spherical AO’s are normalized to 1. This feature can help with numerical convergence issues if AO integrals are involved. Currently only working for single-point energy calculations.
- Type: boolean
- Default: false
All components of spherical AO’s are normalized to 1. This feature can help with numerical convergence issues if AO integrals are involved. Currently only working for single-point energy calculations.
- Type: boolean
- Default: false