Coupled Cluster Method Calculations of Quantum Magnets with Spins of General Spin Quantum Number

We present a new high-order coupled cluster method (CCM) formalism for the ground states of lattice quantum spin systems for general spin quantum number, s. This new ‘‘general-s ’’ formalism is found to be highly suitable for a computational implementation, and the technical details of this implementation are given. To illustrate our new formalism we perform high-order CCM calculations for the one-dimensional spin-half and spin-one antiferromagnetic XXZ models and for the one-dimensional spin-half/spin-one ferrimagnetic XXZ model. The results for the ground-state properties of the isotropic points of these systems are seen to be in excellent quantitative agreement with exact results for the special case of the spin-half antiferromagnet and results of density matrix renormalization group (DMRG) calculations for the other systems. Extrapolated CCM results for the sublattice magnetization of the spin-half antiferromagnet closely follow the exact Bethe Ansatz solution, which contains an infinite-order phase transition at D=1. By contrast, extrapolated CCM results for the sublattice magnetization of the spin-one antiferromagnet using this same scheme are seen to go to zero at D % 1.2, which is in excellent agreement with the value for the onset of the Haldane phase for this model. Results for sublattice magnetizations of the ferrimagnet for both the spin-half and spin-one spins are non-zero and finite across a wide range of D, up to and including the Heisenberg point at D=1.