The Earth Simulator Center, Japan Agency for Marine-Earth Science and Technology, 3173-25 Showa-machi, Kanazawa-ku, Yokohama 236-0001, Japan.
J Chem Phys. 2010 Jun 14;132(22):224311. doi: 10.1063/1.3451073.
The He(2)H(-), He(2)H, and HeH(2) triatomic systems are studied using the adiabatic hyperspherical representation. By adopting the best empirical interaction potentials, we search for weakly bound states of (4)He(2) H(-), (4)He(2) H, and (4)HeH(2). We consider not only zero total nuclear orbital angular momentum, J=0, states but also J>0 states. We find no bound state for the (4)He(2) H systems, while the (4)He(2) H(-) and (4)HeH(2) systems are shown to possess three and one bound states, respectively, for J(Pi)=0(+). Interestingly, one bound state has been found each for the J(Pi)=1(-) and 2(+) symmetries of the (4)He(2) H(-) anion. We shall calculate the bound state energies and analyze the molecular structure of these species in detail.
采用绝热超球坐标表象研究了 He(2)H(-)、He(2)H 和 HeH(2) 三体系统。通过采用最佳经验相互作用势能，我们搜索了 (4)He(2)H(-)、(4)He(2)H 和 (4)HeH(2) 的弱束缚态。我们不仅考虑了总核轨道角动量为 J=0 的态，还考虑了 J>0 的态。我们没有发现 (4)He(2)H 体系的束缚态，而 (4)He(2)H(-) 和 (4)HeH(2) 体系分别被证明在 J(Pi)=0(+)时有三个和一个束缚态。有趣的是，对于 (4)He(2)H(-)阴离子的 J(Pi)=1(-)和 2(+)对称，我们各发现了一个束缚态。我们将详细计算这些物种的束缚态能量并分析其分子结构。
