Теоретическое исследование поляризуемости эндофуллерена nhe@c 60

Mean polarizability of the recently synthesized endofullerene NHe@C60 has been calculated by DFT methods PBE/3ζ and M06-2X/6-31G(d). The calculated values indicate depression of polarizability in the mentioned endohedral complex that is a result of the compression of electronic clouds of atoms, encapsulated into C60 cage. The depression of polarizability is proposed for assessing the degree of screening the encapsulated atoms from external electric fields.