[13p-D12-1~10] 1.1 応用物理一般・学際領域

▲ [13p-D12-5] Highly Accurate Local Pseudopotentials for Large-Scale Materials Simulations with Orbital FreeDensity Functional Theory

〇Sergei Manzhos¹, Fleur Legrain¹ (1.Natl Univ Singapore)

キーワード：large scale ab initio simulations,pseudopotentials,magnesium