# Variational approach to the structure and thermodynamics of linear polyelectrolytes with Coulomb and screened Coulomb interactions

@article{Jnsson1993VariationalAT,
title={Variational approach to the structure and thermodynamics of linear polyelectrolytes with Coulomb and screened Coulomb interactions},
author={B. Jōnsson and Carsten Peterson and Bo Soderberg},
journal={The Journal of Physical Chemistry},
year={1993},
volume={99},
pages={1251-1266}
}
• Published 6 December 1993
• Physics
• The Journal of Physical Chemistry
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic energy containing force constants between all monomer-pairs as variational parameters. By a judicious choice of representation and the use of incremental matrix inversion, an efficient and fast-convergent iterative algorithm is constructed, that optimizes…

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