@article{EhlertKlamroth2020, author = {Christopher Ehlert and Tillmann Klamroth}, title = {PSIXAS: A Psi4 plugin for efficient simulations of X-ray absorption spectra based on the transition-potential and Delta-Kohn-Sham method}, journal = {Journal of computational chemistry : organic, inorganic, physical, biological}, volume = {41}, number = {19}, pages = {1781 -- 1789}, doi = {10.1002/jcc.26219}, year = {2020}, }