Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations

Authors: Stahl, Terrence L., Sokolov, Alexander Yu.

Source: J. Chem. Phys. 160, 204104 (2024)

Subject Terms: Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2403.06241

Quantifying and reducing spin contamination in algebraic diagrammatic construction theory of charged excitations

Authors: Stahl, Terrence L., Banerjee, Samragni, Sokolov, Alexander Yu.

Source: J. Chem. Phys. 157, 044106 (2022)

Subject Terms: Physics - Chemical Physics

Access URL: http://arxiv.org/abs/2204.13164