#aiphysicsconnection

Excerpt from PDF: Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory Adam E. A. Fouda,∗,†,‡ Bhavnesh Jangid,¶ Eetu Pelimanni,† Stephen H. Southworth,† Phay J. Ho,† Laura Gagliardi,¶,§ and Linda Young†,∥ †Chemical Sciences and Engineering Division, Argonne National Laboratory, 9700 S. Cass Avenue, Lemont, IL 60439, USA ‡Department of…