بدائل البحث:
algorithm python » algorithm within (توسيع البحث), algorithms within (توسيع البحث), algorithm both (توسيع البحث)
python function » protein function (توسيع البحث)
basis function » loss function (توسيع البحث), brain function (توسيع البحث), barrier function (توسيع البحث)
less function » loss function (توسيع البحث), loss functions (توسيع البحث), bessel function (توسيع البحث)
algorithm python » algorithm within (توسيع البحث), algorithms within (توسيع البحث), algorithm both (توسيع البحث)
python function » protein function (توسيع البحث)
basis function » loss function (توسيع البحث), brain function (توسيع البحث), barrier function (توسيع البحث)
less function » loss function (توسيع البحث), loss functions (توسيع البحث), bessel function (توسيع البحث)
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Linear-Scaling Local Natural Orbital CCSD(T) Approach for Open-Shell Systems: Algorithms, Benchmarks, and Large-Scale Applications
منشور في 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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