Implementation and Application of the Frozen Density Embedding Theory with the Algebraic Diagrammatic Construction Scheme for the Polarization Propagator up to Third Order.
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DOI: 10.1021/acs.jctc.7b00461
Abstract: Implementation, benchmarking, and representative applications of the new FDE-ADC(3) method for describing environmental effects on excited states as a combination of frozen density embedding (FDE) and the algebraic-diagrammatic construction scheme for the polarization propagator of… read more here.
Keywords: scheme polarization; construction scheme; density embedding; algebraic diagrammatic ... See more keywords