MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
Schwarz, DFT calculations of solids with LAPW and WIEN2k, Journal of Solid State Chemistry, 176 (2003) 319–328
2 Pith papers cite this work. Polarity classification is still indexing.
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DFT study of novel K2SnGeX6 and Rb2SnGeX6 (X=Cl,Br,I) predicts cubic stability, direct bandgaps 0.64-1.44 eV, ductility, and ZT up to 2.4 at 1000 K for K2SnGeI6.
citing papers explorer
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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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First-Principles Study of Novel Lead-Free Double Perovskite \b{eta}2SnGeX6 (\b{eta} = K, Rb; X = Cl, Br, I) for thermomechanical, optoelectronic and outstanding thermoelectric applications
DFT study of novel K2SnGeX6 and Rb2SnGeX6 (X=Cl,Br,I) predicts cubic stability, direct bandgaps 0.64-1.44 eV, ductility, and ZT up to 2.4 at 1000 K for K2SnGeI6.