Number of singlet roots. (Strictly speaking number of of roots with M_s=0 and S is even.) Use this option only with closed shell reference determinant, it must be zero otherwise. This becomes nsing (option #2) in fort.56. Type: integer Default: 1
Number of singlet roots. (Strictly speaking number of of roots with M_s=0 and S is even.) Use this option only with closed shell reference determinant, it must be zero otherwise. This becomes nsing (option #2) in fort.56.
MRCC_METHOD
MRCC_NUM_TRIPLET_ROOTS
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