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On the Sanibel coefficients in the expansion of spin-projected slater determinants
Authors:Per-Olov Lwdin
Institution:Per-Olov Löwdin
Abstract:Every Slater determinant D may be uniquely analyzed in terms of spin components Dl = OlD which are pure spin eigenfunctions, so that S2Dl = l(l+1)D. Every component Dl = OlD may in turn be written as a sum of symmetric combinations of Slater determinants, Tk = αμ?kβk‖αkβν?k], and the coefficients curn:x-wiley:00207608:media:QUA560240615:tex2gif-stack-1 in the expansion OlD = ∑k curn:x-wiley:00207608:media:QUA560240615:tex2gif-stack-2 Tk are known as the “Sanibel coefficients.” By using the relation S2Dl = l(l+1)D, a recursion formula for the coefficients curn:x-wiley:00207608:media:QUA560240615:tex2gif-stack-3 is derived, which is then explicitly solved in the special case when Sz has the pure quantum number m = 0.
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