采用从头计算组态相互作用方法研究了GaN分子的基态和较低的电子激发态的势能曲线,通过数值求解分子的原子核运动薛定谔方程,获得了束缚电子态的光谱参数。对GaN分子光谱参数研究的结果可为以后的实验研究提供理论支持。
The potential energy curves of the ground state and low-lying excited states of GaN molecule are calculated with abi nitio approach. The spectroscopic parameters of the bound states were determined by numerical solution the nuclear Schr?dinger equation. The spectroscopic constants of the molecule can support help for future experimental studies.