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تسجيل مستخدم جديدAb-initio modeling of an anion $C_{60}^-$ pseudopotential for fullerene-based compounds
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I. I. Vrubel
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A pseudopotential of $C_{60}^-$ has been constructed from ab-initio quantum-mechanical calculations. Since the obtained pseudopotential can be easily fitted by rather simple analytical approximation it can be effectively used both in classical and quantum molecular dynamics of fullerene-based compounds.
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