Spin-tensor multireference first-order polarization propagator approximation in comparison with several multireference methods on the example of low-lying electronic states of the CH+ ion
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DOI: 10.1016/j.comptc.2020.112733
Abstract: Abstract We propose a spin-tensor (ST) version of the multireference first-order polarization propagator (PP) approximation (MRFOPPA) designed to produce precision-balanced approximations (PBA) of electronic transition energies, Δ E , to low-lying electronic states of selected… read more here.
Keywords: spin tensor; multireference; first order; multireference first ... See more keywords