Faculty of Physics, University of Warsaw, Hoża 69, 00-681 Warsaw, Poland.
J Chem Phys. 2012 Nov 28;137(20):204314. doi: 10.1063/1.4768169.
Dissociation energy (D(0)) of rovibrational levels of (4)HeH(+) has been predicted theoretically to the accuracy of the order of 0.01 cm(-1). The calculations take into account adiabatic and nonadiabatic corrections as well as relativistic and quantum electrodynamics effects. For the ground rovibrational level D(0) = 14,874.215(10) cm(-1) and it differs by several tens of the inverse centimeter from previous theoretical estimations. For a collection of about 50 transition energies measured between dipole connected levels the difference between theory and experiment is of the order of hundredths of cm(-1) or less.
氦氢离子(4HeH+)的振转能级的离解能(D(0))已被理论预测到了 0.01 cm(-1) 左右的精度。这些计算考虑了绝热和非绝热修正以及相对论和量子电动力学效应。对于基态振转能级,D(0) = 14,874.215(10) cm(-1),与之前的理论估计相差数十个倒数厘米。对于大约 50 个偶极连接能级之间测量的跃迁能量的集合,理论与实验之间的差异在百分之一厘米或更小的数量级。