On the evaluation of spin susceptibilities within multiple scattering theory

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, , Citation H Winter et al 1988 J. Phys. F: Met. Phys. 18 485 DOI 10.1088/0305-4608/18/3/019

0305-4608/18/3/485

Abstract

The authors develop two alternative reciprocal space methods applicable to the calculation of the spin susceptibility of transition metals. The first, a complex energy method, uses the tau matrices of scattering theory, while the second is based on the one-particle energy eigenvalues and the wavefunction coefficients. They demonstrate that both methods may be used to evaluate the non-interacting susceptibility by performing Brillouin zone integrations. As a second step the interacting quantities may be obtained using the methods described in previous work. Their applications to Pd yield a remarkable similarity between results gained in these different ways.

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10.1088/0305-4608/18/3/019