The charge-density method of solving electrostatic problems with and without the inclusion of space-charge
β Scribed by Renau, A; Read, F H; Brunt, J N H
- Book ID
- 124054074
- Publisher
- Institute of Physics
- Year
- 1982
- Weight
- 842 KB
- Volume
- 15
- Category
- Article
- ISSN
- 0022-3735
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π SIMILAR VOLUMES
## Abstract Two new chargeβscaling methods for efficient modeling of the solvated macromolecular environment in hybrid QM/MM calculations of biological reactions are presented. The methods are extensions of the variational electrostatic projection (VEP) method, and allows a subset of atomic charges
A numerical technique for solving the discontinuous injection space-charge problem is described. This technique is based upon the hodographic method studied by Budd and Wheeler. In order to avoid the difficulties introduced by the vanishing charge density the domain is split into two subdomains with