Ehlert, C., & Klamroth, T. (2020). PSIXAS: A Psi4 plugin for efficient simulations of X-ray absorption spectra based on the transition-potential and Δ-Kohn-Sham method. Journal of computational chemistry, 41(19), . https://doi.org/10.1002/jcc.26219
Chicago-Zitierstil (17. Ausg.)Ehlert, Christopher, und Tillmann Klamroth. "PSIXAS: A Psi4 Plugin for Efficient Simulations of X-ray Absorption Spectra Based on the Transition-potential and Δ-Kohn-Sham Method." Journal of Computational Chemistry 41, no. 19 (2020). https://doi.org/10.1002/jcc.26219.
MLA-Zitierstil (9. Ausg.)Ehlert, Christopher, und Tillmann Klamroth. "PSIXAS: A Psi4 Plugin for Efficient Simulations of X-ray Absorption Spectra Based on the Transition-potential and Δ-Kohn-Sham Method." Journal of Computational Chemistry, vol. 41, no. 19, 2020, https://doi.org/10.1002/jcc.26219.