四粒子系统中的规范对称性、手征性和宇称破缺：作为普适分子函数的库仑定律
Gauge symmetry, chirality and parity violation in four-particle systems: Coulomb's law as a universal molecular function
摘要：
根据最近的工作，在寻找一个通用的功能（范Hooydonk，欧洲J Inorg化学，1999年，1617），我们测试对称电位再现分子势能曲线（PEC）。对于一个键，一个四粒子系统，电荷反转是一般解释这种形状的关键。一个宇称适应的哈密顿量从十项减少到两项。分析微扰库仑函数尺度吸引和排斥分支的13 PEC（HH，HF，LiH，KH，AuH，LiLi，LiF，KLi，NaCs，RbRb，RbCs，CsCs和II）在一条直线。以0.3%（0.007埃）的偏差再现转向点。在排斥侧，偏差为0.2%（0.003埃）。从头算零分子参数函数给出可接受质量的PEC，仅使用原子电离能。该函数可用作反演能级的模型势。这个理论可以用飞秒化学来检验。在不久的将来，氢和反氢之间的反应是可行的，可能会产生正常的HH。
英文摘要：
Following recent work in search of a universal function (Van Hooydonk, Eur J Inorg Chem, 1999, 1617), we test symmetric potentials for reproducing molecular potential energy curves (PECs). For a bond, a four-particle system, charge inversion is the key to explain this shape generically. A parity adapted Hamiltonian reduces from ten to two terms. The analytical perturbed Coulomb function 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). At the repulsive side, the deviation is 0.2 % (0.003 angstrom). The ab initio zero molecular parameter function gives PECs of acceptable quality, just using atomic ionisation energies. The function can be used as a model potential for inverting energy levels. The theory may be tested with femtochemistry. Reactions between hydrogen and anti-hydrogen, feasible in the near future, will probably produce normal HH.
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