Blar i NTNU Open på forfatter "Cheng, Lan"
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A theoretical and experimental benchmark study of core-excited states in nitrogen
Heilemann Myhre, Rolf; Wolf, Thomas J.A.; Cheng, Lan; Nandi, Saikat; Coriani, Sonia; Gühr, Marcus; Koch, Henrik (Journal article; Peer reviewed, 2018)The high resolution near edge X-ray absorption fine structure spectrum of nitrogen displays the vibrational structure of the core-excited states. This makes nitrogen well suited for assessing the accuracy of different ... -
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
Carbone, Johanna P; Cheng, Lan; Myhre, Rolf Heilemann; Matthews, Devin A; Koch, Henrik; Coriani, Sonia (Journal article; Peer reviewed, 2019)An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3, and CCSDT in computing selected Oxygen, Carbon, and Nitrogen ...