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Electronic G-tensors

Electronic g tensors can be computed at HF-SCF and CCSD level (with and without orbital relaxation) together with an scaled one-electron spin-orbit operator. Orbital-relaxed computations can be performed using GIAOs.

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Page last modified on March 05, 2017, at 06:33 PM
CFOUR is partially supported by the U.S. National Science Foundation.