Shift Current with Gaussian Basis Sets and General Prescription for Maximally Symmetric Summations in the Irreducible Brillouin Zone

  1. García-Blázquez, M.A.
  2. Esteve-Paredes, J.J.
  3. Uría-Álvarez, A.J.
  4. Palacios, J.J.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Year of publication: 2023

Volume: 19

Issue: 24

Pages: 9416-9434

Type: Article

DOI: 10.1021/ACS.JCTC.3C00917 GOOGLE SCHOLAR lock_openOpen access editor