2 papers
physics.chem-ph2018
Simulating X-ray absorption spectra with linear-response density cumulant theory
Ruojing Peng, Andreas V. Copan, Alexander Yu. Sokolov
We present a new approach for simulating X-ray absorption spectra based on linear-response density cumulant theory (LR-DCT) [A. V. Copan and A. Yu. Sokolov, J. Chem. Theory Comput.…
physics.chem-ph2018
Linear-response density cumulant theory for excited electronic states
Andreas V. Copan, Alexander Yu. Sokolov
We present a linear-response formulation of density cumulant theory (DCT) that provides a balanced and accurate description of many electronic states simultaneously. In the origina…