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. 2023 Feb 3;19(4):1218–1230. doi: 10.1021/acs.jctc.2c01132

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Heisenberg Hamiltonian matrix for a 4-site s- square cluster, with two J magnetic coupling parameters, J_AB = J_BC = J_CD = J_DA = J_short and J_AC = J_BD = J_long, in the GUGA spin adapted basis, for a singlet spin state (S_tot = 0). The ABCD (left) and ACBD (right) site orderings have been considered. The ACBD ordering ensures a bock-diagonal structure of the matrix with eigenbasis of the cumulative with common eigenvalues grouped together. In the ABCD ordering such block-diagonal structure is partially lifted. Red and blue colors refer to elements of opposite sign.

Inline graphic — Heisenberg Hamiltonian matrix for a 4-site s- square cluster, with two J magnetic coupling parameters, J_AB = J_BC = J_CD = J_DA = J_short and J_AC = J_BD = J_long, in the GUGA spin adapted basis, for a singlet spin state (S_tot = 0). The ABCD (left) and ACBD (right) site orderings have been considered. The ACBD ordering ensures a bock-diagonal structure of the matrix with eigenbasis of the cumulative with common eigenvalues grouped together. In the ABCD ordering such block-diagonal structure is partially lifted. Red and blue colors refer to elements of opposite sign.