first principles pseudopotential plane-wave method
first principles pseudopotential plane-wave method
第一性原理伪势平面波法
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The structural stabilities and electronic structures of W atomic chains are studied by employing first-principles plane wave pseudopotential method based on the density functional theory.
使用基于密度泛函理论的第一原理平面波赝势法,研究了W原子链的结构稳定性和电子结构性质。
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