The finite field method using ab initio hybrid functional approach was applied to estimate nonlinear properties of the cluster based on paratellurite crystal structure. The good agreement was found with previously reported data.The method demonstrate high efficiency in prediction of nonlinear properties for a wide ensemble of sufficiently large polyatomic clusters.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 23 Apr 2020|
|Event||4th International Conference on Metamaterials and Nanophotonics, METANANO 2019 - St. Petersburg|
Duration: 15 Jul 2019 → 19 Jul 2019
Scopus subject areas
- Physics and Astronomy(all)