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- W1746432773 abstract "Abstract A new procedure for construction of spin‐adapted DIM bases is described. The procedure is based on the direct diagonalization approach, is quite general, and seems to be especially suited for computer implementation. The structure of the bases obtained by the procedure appears to be favorable for performing symmetry operations necessary in setting up the Hamiltonian matrices in semiempirical applications of the DIM method." @default.
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- W1746432773 title "Symmetry aspects of diatomics-in-molecules (DIM) calculations: Construction of spin-adapted bases" @default.
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- W1746432773 doi "https://doi.org/10.1002/qua.560280506" @default.
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