在PM3/CIS水平上计算了它们的电子光谱，得到了由基态到各激发态的垂直跃迁能和相应的振子强度。
At PM3/CIS level, the vertical excitation spectra were calculated and the vertical excitation energies and corresponding oscillator strength from the ground states to the excited states are obtained.
研究了磁场下量子点中二电子系统的低激发态能谱，考察了电子-声子相互作用对能谱的影响。
The low-lying spectra of a quantum dot, where the two electrons interact with each other under a magnetic field, and the effect of electron-phonon interactions to the spectra are discussed.
采用CIS方法研究体系的激发态情况，发现给体的给电子能力和分子平面性共同决定激发能的大小。
The excited states were also investigated by using CIS method, the transition energy was determined by the ability of donor giving electrons and the molecular plain.
采用CIS方法研究体系的激发态情况，发现给体的给电子能力和分子平面性共同决定激发能的大小。
The excited states were also investigated by using CIS method, the transition energy was determined by the ability of donor giving electrons and the molecular plain.
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