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Variational approach to correlations in charged polymers

In English

Författare

Summary, in English

A deterministic algorithm for calculating polymer properties is presented. It is based on a variational approach where the bond and Coulomb potentials are approximated by a quadratic trial energy. The parameters which describe average atom positions and Gaussian fluctuations, are the solutions of matrix equations. By a judicious choice of parameter representations and the use of incremental matrix inversion, an efficient iterative algorithm is constructed that is several orders of magnitude faster than Monte Carlo methods. The method is explored numerically at realistic temperatures with results that agree within 5% with those of Monte Carlo calculations.

Publiceringsår

1993

Språk

Engelska

Sidor

376-379

Publikation/Tidskrift/Serie

Physical Review Letters

Volym

71

Issue

3

Dokumenttyp

Artikel i tidskrift

Förlag

American Physical Society

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 0031-9007