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Electron Spin-rotation Tensors

Electron spin-rotation tensors can be computed at HF-SCF and CCSD level (with and without orbital relaxation) together with an effective one-electron spin-orbit operator.

Add PROP=G_TENSOR,SPINROTATION=ON to your ZMAT file.

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Page last modified on June 09, 2015, at 05:07 PM
CFOUR is partially supported by the U.S. National Science Foundation.