Keeping two electronic states at a small fixed energy gap, the tube algorithm finds approximate minimum energy conical intersections, and CCSD versions of these structures match CASSCF and SF-TDDFT reference geometries for three molecules.
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Determining minimum energy conical intersections by enveloping the seam: exploring ground and excited state intersections in coupled cluster theory
Keeping two electronic states at a small fixed energy gap, the tube algorithm finds approximate minimum energy conical intersections, and CCSD versions of these structures match CASSCF and SF-TDDFT reference geometries for three molecules.