Complex Implications of Translational Invariance in Polymer Field Theory

Jaeup U. Kim, Mark W. Matsen, David C. Morse, James D. Willis

Research output: Contribution to journalArticlepeer-review

1 Scopus citations

Abstract

The behavior of complex-Langevin field-theoretic simulations (CL-FTSs) of polymer liquids is sensitive to the nature of saddle-point field configurations, which are solutions of self-consistent field theory (SCFT). Recent work [Kang et al. Macromolecules 2024, 57, 3850] has shown that SCFT saddle-points with real fields are generally not isolated solutions but rather members of a low-dimensional family of continuously connected complex-valued saddle-points sharing the same Hamiltonian value. We show that this behavior is a natural consequence of the analyticity and translational invariance of the Hamiltonian, which together demand its invariance under generalized translations by displacements with complex components. We also present a numerical algorithm that minimizes the deleterious effects of this generalized symmetry on the stability of CL-FTSs.

Original languageEnglish (US)
Pages (from-to)9900-9910
Number of pages11
JournalMacromolecules
Volume57
Issue number20
DOIs
StatePublished - Oct 22 2024
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2024 American Chemical Society.

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