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Showing 1 to 1 of 1 for “"extended Koopmans' theorem"”.
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First principles quantum Monte Carlo study of correlated electronic systems
… low energy excitation of many-body systems using extended Koopmans' theorem (EKT). The EKT provides a straight forward way to compute charge excitation spectra, such as ionization potentials, electron affinities from any level of theory. We implemented the EKT within the QMC framework, and …