Abstract
A general algorithm of configuration interaction (CI) method for spin-dependent Hamiltonians in a basis of spin-adapted N-electron configuration state functions is formulated. The method is derived from the symmetric group approach (SGA) to a many-electron problem and retains the simple structure of the spin-independent CI. The transition from an algorithm for a spin-independent Hamiltonian to a general spin-dependent case results in a replacement of the blocks of irreducible representation matrices of the symmetric group (representing permutation operators in the spin-adapted N-electron basis) by larger matrices representing the pertinent spin operators. The structure of the algorithm, in particular the set of loops in the orbital graph leading to non-zero contributions to the CI matrix elements, remains exactly the same as in the spin-independent case.
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