Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations

Abstract

The applicability and limitations of the restricted virtual space (RVS) approximation within the algebraic-diagrammatic construction (ADC) scheme for the polarization propagator up to third order is evaluated. In RVS-ADC, not only the core but also a substantial amount of energetically high-lying virtual orbitals is restricted in excitation energy… (More)
DOI: 10.1002/jcc.24794

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Cite this paper

@article{Yang2017EvaluationOT, title={Evaluation of the restricted virtual space approximation in the algebraic-diagrammatic construction scheme for the polarization propagator to speed-up excited-state calculations}, author={Chong Yang and Andreas Dreuw}, journal={Journal of computational chemistry}, year={2017}, volume={38 17}, pages={1528-1537} }