期刊
JOURNAL OF CHEMICAL PHYSICS
卷 120, 期 1, 页码 31-34出版社
AMER INST PHYSICS
DOI: 10.1063/1.1629673
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A modification to real space polymeric self-consistent field theory algorithms that greatly improves the convergence properties is presented. The method is based on Anderson mixing [D. G. Anderson, J. Assoc. Comput. Mach. 12, 547 (1965)], and each iteration computed takes negligibly longer to perform than with other methods, but the number of iterations required to reach a high accuracy solution is greatly reduced. No a priori knowledge of possible phases is required to apply this method. We apply our approach to a standard diblock copolymer melt, and demonstrate iteration reductions of more than a factor of 5 in some cases. (C) 2004 American Institute of Physics.
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