The automatic three-dimensional mesh generation system for molecular geometries developed in our laboratory is used to solve the Poisson᎐Boltzmann equation numerically using a finite element method. For a number of different systems, the results are found to be in good agreement with those obtained
✦ LIBER ✦
Adaptive multilevel finite element solution of the Poisson–Boltzmann equation I. Algorithms and examples
✍ Scribed by M. Holst; N. Baker; F. Wang
- Publisher
- John Wiley and Sons
- Year
- 2001
- Tongue
- English
- Weight
- 73 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0192-8651
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This paper contains a first systematic analysis of a posteriori estimation for finite element solutions of the Helmholtz equation. In this first part, it is shown that the standard a posteriori estimates, based only on local computations, severely underestimate the exact error for the classes of wav