Ferenc Dávid, Korobov Vladimir I, Mátyus Edit
Institute of Chemistry, ELTE, Eötvös Loránd University, Pázmány Péter sétány 1/A, Budapest H-1117, Hungary.
Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, Dubna 141980, Russia.
Phys Rev Lett. 2020 Nov 20;125(21):213001. doi: 10.1103/PhysRevLett.125.213001.
The rovibrational intervals of the ^{4}He_{2}^{+} molecular ion in its X ^{2}Σ_{u}^{+} ground electronic state are computed by including the nonadiabatic, relativistic, and leading-order quantum-electrodynamics corrections. Good agreement of theory and experiment is observed for the rotational excitation series of the vibrational ground state and the fundamental vibration. The lowest-energy rotational interval is computed to be 70.937 69(10) cm^{-1} in agreement with the most recently reported experimental value, 70.937 589(23)(60)_{sys} cm^{-1} [L. Semeria et al., Phys. Rev. Lett. 124, 213001 (2020)PRLTAO0031-900710.1103/PhysRevLett.124.213001].
通过纳入非绝热、相对论和一级量子电动力学修正,计算了处于X ^{2}Σ_{u}^{+}基电子态的^{4}He_{2}^{+}分子离子的振转间隔。对于振动基态和基频振动的转动激发系列,理论与实验结果吻合良好。计算得出最低能量的转动间隔为70.937 69(10) cm^{-1},与最近报道的实验值70.937 589(23)(60)_{sys} cm^{-1} [L. 塞梅里亚等人,《物理评论快报》124, 213001 (2020)PRLTAO0031 - 900710.1103/PhysRevLett.124.213001] 一致。