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An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
Avijit Sen, Bernardo de Souza, Lee Huntington, Martin Krupička, Frank Neese, Róbert Izsák (2018). An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials. The Journal of Chemical Physics, 149(11), DOI: 10.1063/1.5048688.
Article295 days agoAn efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
Avijit Sen, Bernardo de Souza, Lee Huntington, Martin Krupička, Frank Neese, Róbert Izsák (2018). An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials. The Journal of Chemical Physics, 149(11), DOI: 10.1063/1.5048688.
Article271 days ago