Fig. 4. (a) Geometry of the water dimer studied with the OH bond length of single monomer distance labelled as ROH. The intermonomer separation is fixed throughout. (b) Absolute error in the stretched water monomer VQE total energy as a function of ROH for different muCJ repetition factor k in the k-muCJ ansatz. (c and d) Absolute errors relative to SAPT(CASCI) in the electrostatic and exchange energies calculated as a function of ROH for different muCJ repetition factor k in the k-muCJ ansatz.
