Electronic structure study of local dielectric properties of lanthanoid oxide clusters

Density functional calculations are performed for lanthanum-oxide clusters in order to study the local dielectric properties of such clusters using the dielectric constant defined at local points. An increase in coordination number brings about an increase in electron population on the central lanthanum atom, leading to an increase in the local dielectric constant.
Please also see, errata, Ph.D. thesis, Pawel Szarek 京都大学学術情報リポジトリ(京都大学図書館機構) [Szarek, Pawel, Theoretical Study of Electronic States of Chemical Bonds.(化学結合の電子状態に関する理論的研究.) http://hdl.handle.net/2433/66212 ]