Extended N‐centered ensemble density functional theory of double electronic excitations
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DOI: 10.1002/jcc.27387
Abstract: A recent work (arXiv:2401.04685) has merged N‐centered ensembles of neutral and charged electronic ground states with ensembles of neutral ground and excited states, thus providing a general and in‐principle exact (so‐called extended N‐centered) ensemble density… read more here.
Keywords: centered ensemble; extended centered; ensemble density; density ... See more keywords