(Hyper)polarizabilities of GaN, GaP, and GaAs Clusters: An Ab Initio Time-Dependent Hartree−Fock Study †

On the shape dependence of cluster (hype

On the shape dependence of cluster (hyper)polarizabilities. A combined ab initio and DFT study on large fullerene–like gallium arsenide semiconductor clusters

✍ Panaghiotis Karamanis; Claude Pouchan 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 801 KB

## Abstract The effect of the cluster shape on the magnitudes of the static dipole (hyper)polarizabilities of large gallium arsenic clusters built from 72 atoms is presented and discussed. Also, the performance of conventional and long range corrected density functionals is assessed on the predicti