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In this paper we propose the cluster decomposition method to solve the larger size network problem.
(Clustered Jacobi coordinates) Given ({1,ldots,N}), a cluster decomposition or clustering, ({mathcal {C}}= {C_ell }_{ell =1}^k), is a partition, i.e. a family of disjoint subsets whose union is ({1,ldots,N}).
A large number of mechanical quantities (including: rigid cluster decomposition, independent and redundant constraints, rigid cluster susceptibility, global flexibility, local flexibility index, and flexibility propagation) are evaluated in a thermodynamically meaningful way.
(3) We prove pointwise high energy asymptotics for the two-cluster-two-cluster scattering amplitudesfβαwith the Fourier transformÎβαin the leading term (for the case when the cluster decomposition forαandβis the same).
Suppose that (Sigma ) is a two-body threshold, i.e. there is a cluster decomposition, ({mathcal {C}}= {C_1,C_2}) and vectors, (varphi _j in {mathcal H}(C_j),, j=1,2) so that (H(C_j)varphi _j = E_jvarphi _j), (||varphi _j||=1) and (E_1+E_2 = Sigma ).
We write begin{aligned} widetilde{T}^{({mathcal {C}})} = H_{0,CM}otimes {varvec{1}}+{varvec{1}}otimes T^{({mathcal {C}})} end{aligned} (11.52 Given a cluster decomposition, ({mathcal {C}}={C_ell }_{ell =1}^k), we write ((jq) subset {mathcal {C}}) if j and q are in the same cluster of ({mathcal {C}}) and ((jq) not subset {mathcal {C}}) if they are in different clusters.
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We have in prior work compared the detailed rigid cluster decompositions between the VPG and PG to a large dataset of 273 proteins [ 29].
To generate rigid cluster decompositions, the hydrogen bond energy cut-off (Ecut) was set to −1.0 kcandmol−1 and the 'H3' hydrophobic tether scheme was employed.
Most feature recognition methods use either a cluster-based decomposition or feature line extraction through solid angles or curvature values, followed by graph-based heuristics.
One approach to expand the capability of GCM to handle a more diverse range of solutions is to combine property clustering with decomposition techniques in a reverse problem formulation.
Afterwards, these decomposed structures were consistently relabeled, clustered and transition pathways between clusters constructed: The decomposition of higher oligomers into dimeric structures was performed separately for trajectories which contained all trimeric, tetrameric and decameric aggregates observed in all simulations for both, PHF6 and IB12, peptides.
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