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.
CFOUR_NEGEVAL
CFOUR_NONHF
Enter search terms or a module, class or function name.