“Clusterize” is designed to create groups of atoms to form clusters. Each cluster is treated
as a single subsystem and exactly diagonalised. The subsystems are coupled
and treated in the standard meanfield and dynamical matrix diagonalisation (DMD)
procedures in mcphas and mcdisp. Such coupled cluster calculations are
appropriate for solids with groups of magnetic ions which interact strongly and
different groups are coupled weakly. For an example of such a calculation
see Cu2Te2O5Cl2, Jens Jensen PRB 2008
Example: dispersion of a linear chain of dimers with antiferromagnetic nearest neighbour interactions
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