We report a numerical technique that allows the quantum effects of zero‐point motion to be
incorporated into Pair Distribution Functions calculated classically for molecules using
Monte Carlo or Molecular Dynamics simulations. We establish the basis for this
approximation using a diatomic molecule described by a Morse potential. The correction
should significantly improve the agreement between modeled and experimental data, and
facilitate conclusions about inter‐and intra‐molecular motion and flexibility. We describe a …

Quantum-mechanical corrections to the pair distribution function of a plasma at high
temperature and low density are calculated to order e2 in the interaction, using standard
diagram perturbation techniques. Both the effects due to quantum statistics (exchange) and
the finite size of a wave packet (dynamic screening), are considered.