MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
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Electrochemical reduction of hydrogen-capped polyynes yields stable amorphous sp-sp2 carbon nanoparticles with tunable diameters, >60% retained sp fraction, and ambient stability exceeding six months.
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Reduction of finite-size effects for second-order M{\o}ller-Plesset perturbation theory with singularity subtraction
MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
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Charge-Transfer Induced Reactivity in sp Carbon Atomic Wires: Towards 0-D sp-sp2 Nanostructures
Electrochemical reduction of hydrogen-capped polyynes yields stable amorphous sp-sp2 carbon nanoparticles with tunable diameters, >60% retained sp fraction, and ambient stability exceeding six months.