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physics.chem-ph2020
Extended Second-Order Multireference Algebraic Diagrammatic Construction Theory for Charged Excitations
Koushik Chatterjee, Alexander Yu. Sokolov
We report a new implementation of multireference algebraic diagrammatic construction theory (MR-ADC) for simulations of electron attachment and ionization in strongly correlated mo…
physics.chem-ph2019
Second-Order Multi-Reference Algebraic Diagrammatic Construction Theory for Photoelectron Spectra of Strongly Correlated Systems
Koushik Chatterjee, Alexander Yu. Sokolov
We present a second-order formulation of multi-reference algebraic diagrammatic construction theory [Sokolov, A. Yu. J. Chem. Phys. 2018, 149, 204113] for simulating photoelectron…