Ab-initio modeling of an anion $C_{60}^-$ pseudopotential for fullerene-based compounds

Autor:	Vrubel, I. I., Polozkov, R. G., Ivanov, V. K.
Rok vydání:	2015
Předmět:	Physics - Atomic and Molecular Clusters
Druh dokumentu:	Working Paper
DOI:	10.1140/epjd/e2016-60720-x
Popis:	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.
Databáze:	arXiv
Externí odkaz:	http://arxiv.org/abs/1512.04841 Zobrazit plný text záznamu View this record from Arxiv