Gauge symmetry, chirality and parity violation in four-particle systems: Coulomb's law as a universal molecular function

摘要

Following recent work in search of a universal function (Van Hooydonk, Eur JInorg Chem, 1999, 1617), we test symmetric potentials for reproducing molecularpotential energy curves (PECs). For a bond, a four-particle system, chargeinversion is the key to explain this shape generically. A parity adaptedHamiltonian reduces from ten to two terms. The analytical perturbed Coulombfunction scales attractive and repulsive branches of 13 PECs (HH, HF, LiH, KH,AuH, LiLi, LiF, KLi, NaCs, RbRb,RbCs, CsCs and II) in a single straight line.Turning points are reproduced with a deviation of 0.3 % (0.007 angstrom). Atthe repulsive side, the deviation is 0.2 % (0.003 angstrom). The ab initio zeromolecular parameter function gives PECs of acceptable quality, just usingatomic ionisation energies. The function can be used as a model potential forinverting energy levels. The theory may be tested with femtochemistry.Reactions between hydrogen and anti-hydrogen, feasible in the near future, willprobably produce normal HH.