theoretical calculation

化学一般
Related terms (4)：

density functional method (密度汎関数法)
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Hartree-Fock method (Hartree-Fock法)
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ab initio method (ab initio法)
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Schroedinger equation (Schroedinger方程式)
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Broader terms (2)：

calculation (計算)
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theory (理論)
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