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.

Original languageEnglish
Article number012137
JournalJournal of Physics: Conference Series
Volume1461
Issue number1
DOIs
StatePublished - 23 Apr 2020
Event4th International Conference on Metamaterials and Nanophotonics, METANANO 2019 - St. Petersburg, Russian Federation
Duration: 15 Jul 201919 Jul 2019

    Scopus subject areas

  • Physics and Astronomy(all)

ID: 73026679