Variational approach to correlations in charged polymers
(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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/41afcf78-c46f-499d-abe9-5078c899f2d3
- author
- Jönsson, Bo LU ; Peterson, Carsten LU and Söderberg, Bo LU
- organization
- publishing date
- 1993
- 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
- 2024-01-04 13:38:54
@article{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.</p>}}, author = {{Jönsson, Bo and Peterson, Carsten and Söderberg, Bo}}, issn = {{0031-9007}}, language = {{eng}}, number = {{3}}, pages = {{376--379}}, publisher = {{American Physical Society}}, series = {{Physical Review Letters}}, title = {{Variational approach to correlations in charged polymers}}, url = {{http://dx.doi.org/10.1103/PhysRevLett.71.376}}, doi = {{10.1103/PhysRevLett.71.376}}, volume = {{71}}, year = {{1993}}, }