The structure and dynamics of a molecular system is governed by its potential
energy surface (PES), representing the total energy as a function of the
nuclear coordinates. Obtaining accurate potential energy surfaces is limited by
the exponential scaling of Hilbert space, restricting quantitative predictions
of experimental observables from first principles to small molecules with just
a few electrons. Here, we present an explicitly physics-informed approach for
improving and assessing the quality of families of PESs by modifying them
through linear coordinate transformations based on experimental data. We
demonstrate this "morphing" of the PES for the He-H2+​ complex for
reference surfaces at three different levels of quantum chemistry and using
recent comprehensive Feshbach resonance(FR) measurements. In all cases, the
positions and intensities of peaks in the collision cross-section are improved.
We find these observables to be mainly sensitive to the long-range part of the
PES