LOCAL_WEAKP

Desired treatment of “weak pairs” in the local-CCSD 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-CCSD energy computed with weak pairs ignored.

• Type: string
• Possible Values: NONE, NEGLECT, MP2
• Default: NONE