E-mail

E-mail a Wiley Online Library Link

Mojtaba Alipour Theoretical determination of the differential polarizability and anisotropy of alkaline earth oxide nanoclusters (BeO)n [n = 2–9]: The basis set and electron correlation effects International Journal of Quantum Chemistry 114

Article first published online: 30 SEP 2013 | DOI: 10.1002/qua.24552

Thumbnail image of graphical abstract

BeO is a rare oxide often used in high-performance ceramic materials, with applications in atomic energy, aviations, and the metallurgical industry. The mean dipole polarizabilities, differential polarizabilities, and anisotropies of beryllium oxide nanoclusters (BeO)n [n = 2–9] can be computed and understood using density functional theory and ab initio methods. A careful consideration of the effects of electron correlation correction and basis set selection on the dipole polarizabilities is paramount to obtaining an acceptable accuracy.

Complete the form below and we will send an e-mail message containing a link to the selected article on your behalf

Required = Required Field

SEARCH