Abstract.
An approximate spin function for infinite periodic spin lattices is introduced. The “encapsulated spin function” is built from spin blocks variationally determined on open clusters. It gives a zeroth-order description of the short-range spin correlation while insuring a proper translational symmetry with an appropriate projection of the local spin function over the entire lattice. A recursion expression is derived that removes the normalization difficulty that arises in the projection. The one-dimensional Heisenberg regular Hamiltonian is tested in the present paper but the model allows for more complicated topologies of the interactions, including long-range exchange and three-spin exchange.
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Received: 1 April 1998 / Accepted: 30 July 1998 / Published online: 11 November 1998
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Pétuaud-Létang, F., Fritsch, A., Bignonneau, G. et al. Encapsulated spin function for periodic lattices. Theor Chem Acc 100, 314–323 (1998). https://doi.org/10.1007/s002140050392
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DOI: https://doi.org/10.1007/s002140050392