
NAT_ORBS_V4ΒΆ
Do use MP2 natural orbital approximations for the
block of two-electron integrals in the evaluation of CCD T2 amplitudes? Recommended true for all SAPT computations.
- Type: boolean
- Default: false
Do use MP2 natural orbital approximations for the
block of two-electron integrals in the evaluation of CCD T2 amplitudes? Recommended true for all SAPT computations.
- Type: boolean
- Default: false