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Title: Coherent states formulation of polymer field theory

We introduce a stable and efficient complex Langevin (CL) scheme to enable the first direct numerical simulations of the coherent-states (CS) formulation of polymer field theory. In contrast with Edwards’ well-known auxiliary-field (AF) framework, the CS formulation does not contain an embedded nonlinear, non-local, implicit functional of the auxiliary fields, and the action of the field theory has a fully explicit, semi-local, and finite-order polynomial character. In the context of a polymer solution model, we demonstrate that the new CS-CL dynamical scheme for sampling fluctuations in the space of coherent states yields results in good agreement with now-standard AF-CL simulations. The formalism is potentially applicable to a broad range of polymer architectures and may facilitate systematic generation of trial actions for use in coarse-graining and numerical renormalization-group studies.
Authors:
;  [1] ;  [2] ;  [3] ;  [4] ;  [1] ;  [2] ;  [2]
  1. Department of Chemical Engineering, University of California, Santa Barbara, California 93106 (United States)
  2. (United States)
  3. Materials Research Laboratory, University of California, Santa Barbara, California 93106 (United States)
  4. Institut de Physique Théorique, CE-Saclay, CEA, F-91191 Gif-sur-Yvette Cedex (France)
Publication Date:
OSTI Identifier:
22253617
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ANNIHILATION OPERATORS; COMPUTERIZED SIMULATION; EIGENSTATES; FIELD THEORIES; FLUCTUATIONS; POLYMERS; POLYNOMIALS; SAMPLING; SOLUTIONS