The Journal of chemical physics
Homotopy continuation method for solving Dyson equation fully self-consistently: Theory and application to NdNiO2.
Pavel Pokhilko, Dominika Zgid
Published: 202510.1063/5.0288359
Abstract
The solution of the Dyson equation for the small-gap systems can be plagued by large non-converging iterations. In addition to the convergence issues, due to a high non-linearity, the Dyson equation may have multiple solutions. We apply the homotopy…
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