Wavelet BEM on molecular surfaces: parametrization and implementation |
| |
Authors: | Helmut Harbrecht Maharavo Randrianarivony |
| |
Affiliation: | 1.Institut für Numerische Simulation,Universit?t Bonn,Bonn,Germany |
| |
Abstract: | The present paper is dedicated to the rapid solution of boundary integral equations arising from solvation continuum models. We apply a fully discrete wavelet Galerkin scheme for the computation of the apparent surface charge on van der Waals or solvent accessible surfaces. The molecular surface is described in parametric form as a set of four-sided spherical patches. Each patch is exactly represented as rational Bézier surface. Numerical results are reported to illustrate the approach. |
| |
Keywords: | |
本文献已被 SpringerLink 等数据库收录! |