科研之友
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摘要
The Poisson-Boltzmann equation is often presented via a variational formulation based on the electrostatic potential. However, the functional has the defect of being non-convex. It cannot be used as a local minimization principle while coupled to other dynamic degrees of freedom. We formulate a convex dual functional which is numerically equivalent at its minimum and which is more suited to local optimization.
- 出版日期2012-4
