Lestrange15

Lestrange, Patrick J.; Nguyen, Phu D.; Li, Xiaosong “Calibration of Energy-Specific TDDFT for Modeling K-edge XAS Spectra of Light Elements” J. Chem. Theory Comput., 11 (2015) pp 2994–2999. DOI: 10.1021/acs.jctc.5b00169