Desired treatment of “weak pairs” in the local-CCSD method. A value of
NEGLECTignores weak pairs entirely. A value ofNONEtreats 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, MP2, NEGLECT
- Default: NONE
