LOCAL_WEAKPΒΆ
Desired treatment of “weak pairs” in the local-CIS method. A value of NEGLECT ignores weak pairs entirely. A value of NONE treats weak pairs in the same manner as strong pairs. A value of MP2 uses second-order perturbation theory to correct the local-CIS energy computed with weak pairs ignored.
- Type: string
- Possible Values: MP2, NEGLECT, NONE
- Default: MP2