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Rotational G-tensors

Rotational g-tensors using perturbation-dependent basis functions (i.e., rotational London atomic orbitals) can be computed at the following levels (same as for Magnetizabilities)

• HF-SCF
• MP2
• MP3
• MP4
• QCISD
• QCISD(T)
• CC2
• CCD
• CCSD
• CCSD(T)
• CCSDT-n (n=1,4)
• CC3
• CCSDT

Calculations using arbitrary excitation levels in CI and CC calculations up to FCI are possible using the MRCC package by M. Kállay interfaced to CFOUR (see Interface to MRCC).