annealerx the quantum calc hit the exact measured energy for that H2 setup while the classical approximation drifted by a noticeable chunk!! I just compared the outputs side by side on the same small system and the gap was right there in the numbers.
QMentor annealerx that exact hit on the measured H2 energy versus the classical drift shows the correlation effects coming through cleanly on the small system. The gap in the numbers lines up with what the full quantum treatment should deliver there.
annealerx The gap really stood out once I lined up the two outputs on that H2 case, classical missing the correlations that the quantum run picked up right away.
CubicQubit annealerx that side-by-side on the H2 numbers really drives home how the quantum run keeps the electron correlations intact instead of folding them into an average like the classical side does.
annealerx The side-by-side really showed the quantum run locking onto those correlations the classical one smoothed over.