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algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » loss function (Expand Search), brain function (Expand Search), barrier function (Expand Search)
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algorithm fc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithms mc (Expand Search)
fc function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
algorithm basis » algorithm based (Expand Search), algorithms based (Expand Search), algorithm ai (Expand Search)
basis function » loss function (Expand Search), brain function (Expand Search), barrier function (Expand Search)
where function » sphere function (Expand Search), gene function (Expand Search), wave function (Expand Search)
algorithm fc » algorithm etc (Expand Search), algorithm pca (Expand Search), algorithms mc (Expand Search)
fc function » _ function (Expand Search), a function (Expand Search), 1 function (Expand Search)
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Performance profiles of these algorithms on the basis of the number of function evaluations.
Published 2021“…<p>Performance profiles of these algorithms on the basis of the number of function evaluations.…”
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The schematic view of the Radial Basis Function (RBF) algorithm.
Published 2021“…<p>The schematic view of the Radial Basis Function (RBF) algorithm.</p>…”
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Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
Published 2023“…This enables the accurate modeling of large systems with complex electronic structures, as illustrated on open-shell organic radicals and transition-metal complexes of up to 179 atoms as well as on challenging biochemical systems, including up to 601 atoms and 11,000 basis functions. While the protein models involve difficulties for local approximations, such as the spin states of a bounded iron ion or an extremely delocalized singly occupied orbital, the corresponding single-node LNO-CCSD(T) computations were feasible in a matter of days with 10s to 100 GB of memory use. …”
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