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Updated: Aug 5, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Origin of Misleading Convergence in Self-Consistent Many-Electron Theories: Fundamental Aspects and Practical
Herbert Eßl1, Matthias Reitner1, Evgeny Kozik2
1TU Wien, Institute of Solid State Physics, 1040 Vienna, Austria.
None:
Self-consistent approaches in many-electron problems typically converge to an unphysical solution in strongly correlated regimes. By deriving the mathematical condition for the stability of the physical solution, we unveil the precise relation between two distinct issues previously considered equivalent: the misleading convergence in self-consistent schemes and the multivaluedness of the Luttinger-Ward functional. Although these problems are fundamentally linked through the divergences of the irreducible vertex function, we show that misleading convergence can occur even in the absence of such divergences. Eventually, a systematic procedure for stabilizing the physical solution is proposed.
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