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AO 2 SOINVThe transformation matrix connecting the atomic orbitals (columns of AO2SOINV) with the symmetry-adapted orbitals (rows of AO2SOINV). This matrix multiplied on the left of an AO basis object will transform it to the SO basis. This matrix is in general not unitary and frequently not even square. The inverse transformation is given in the AO2SO record. Data type: floating point. Dimension: NSO x NAO. Written by: xvmol2ja. For variable definition see: Terms of reference. |
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