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The canonical partition function is a functional, which is uniquely determined by the Hamiltonian of the corresponding macromolecular system.
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Here, is a penalty functional, which is generally designed to produce a smooth density map.
Here we assume g is a convex functional which is continuously differentiable on L 2 , and h is a strictly convex continuously differentiable functional on U. We further assume that h ( u ) ⟶ + ∞ as ∥ u ∥ U → + ∞ and that g is bounded below.
Let be a bilinear functional which is continuous over compact subsets of.
Next, we construct a Lyapunov functional which is equivalent to E t).
We overcome these difficulties by constructing a novel functional, which is different for the corresponding ones of past work.
The axes and radii are fitted to the data by minimizing an energy functional, which is regularized by a smoothness constraint.
The abstract problem in this paper is a class of mixed variational problems governed by two variational inequalities, with a bilinear function and functional which is convex and lower semicontinuous.
This is done by minimizing an objective functional, which is the L2 distance between the given far-field information g∞ and the far-field of the scattered wave u∞ corresponding to the computed shape and impedance function.
These mechanisms were formulated as an energy functional, which is then minimized by using the multiphase level set method. Figure 6g shows the segmentation result obtained using the centerlines of the axons from Figure 6f.
The B2PLYP functional is a double hybrid functional which is a combination of the generalized gradient approximations for the correlation and exchange, the Hartree-Fock exchange and a second order correlation term which is included by perturbation theory [11].
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com