Simultaneous determination of structures, vibrations, and frontier orbital energies from a self-consistent range-separated hybrid functional

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Subjectdensity functional theory; ionization energy; optimal tuning; range-separated hybrid functionals; structural optimization; zero-point energy
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PublisherAmerican Chemical Society
Peer reviewedYes
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NPARC number23003154
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Record identifierb4354087-b275-4f95-bd13-295106a04672
Record created2018-05-02
Record modified2020-05-30
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