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Variational approach to correlations in charged polymers

Jönsson, Bo LU ; Peterson, Carsten LU and Söderberg, Bo LU (1993) In Physical Review Letters 71(3). p.376-379
Abstract

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. © 1993 The American Physical Society.

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author
organization
publishing date
type
Contribution to journal
publication status
published
in
Physical Review Letters
volume
71
issue
3
pages
4 pages
publisher
American Physical Society
external identifiers
  • Scopus:0001472233
ISSN
0031-9007
DOI
10.1103/PhysRevLett.71.376
language
English
LU publication?
yes
id
41afcf78-c46f-499d-abe9-5078c899f2d3
date added to LUP
2016-10-03 19:21:47
date last changed
2016-10-10 16:11:33
@misc{41afcf78-c46f-499d-abe9-5078c899f2d3,
  abstract     = {<p>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. © 1993 The American Physical Society.</p>},
  author       = {Jönsson, Bo and Peterson, Carsten and Söderberg, Bo},
  issn         = {0031-9007},
  language     = {eng},
  number       = {3},
  pages        = {376--379},
  publisher    = {ARRAY(0x8ea4650)},
  series       = {Physical Review Letters},
  title        = {Variational approach to correlations in charged polymers},
  url          = {http://dx.doi.org/10.1103/PhysRevLett.71.376},
  volume       = {71},
  year         = {1993},
}