Density functional theory for flexible and semiflexible polymers of infinite length

Clifford E Woodward; Jan Forsman

doi:10.1103/PhysRevE.74.010801

Density functional theory for flexible and semiflexible polymers of infinite length

Clifford E Woodward, Jan Forsman

Computational Chemistry

Research output: Contribution to journal › Article › peer-review

Abstract

We develop a density functional theory for infinitely long flexible and semiflexible polymers, as an appropriate simplification of the corresponding treatment of finite chains. We demonstrate that very long chains sometimes are required to reproduce even qualitatively correct limiting behaviors.

Original language	English
Journal	Physical Review E (Statistical, Nonlinear, and Soft Matter Physics)
Volume	74
Issue number	1
DOIs	https://doi.org/10.1103/PhysRevE.74.010801
Publication status	Published - 2006

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

Subject classification (UKÄ)

Theoretical Chemistry (including Computational Chemistry)

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10.1103/PhysRevE.74.010801

Cite this

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Density functional theory for flexible and semiflexible polymers of infinite length

Abstract

Bibliographical note

Subject classification (UKÄ)

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Cite this