采用研究双原子分子离子XY+的能量自洽法(energy-consistent method for ion XY+,ECMI)研究了双原子分子负离子CP-基态X2Σ+的势能行为,得到了负离子CP-基态X2Σ+的解析势能函数ECMI势,并将这个ECMI势、中性双原子分子的势能函数如Mors...采用研究双原子分子离子XY+的能量自洽法(energy-consistent method for ion XY+,ECMI)研究了双原子分子负离子CP-基态X2Σ+的势能行为,得到了负离子CP-基态X2Σ+的解析势能函数ECMI势,并将这个ECMI势、中性双原子分子的势能函数如Morse势、Huxley-Murrell-Sorbie(HMS)势直接用于研究CP-基态X2Σ+势能行为得到的结果与基于实验的Rydberg-Klein-Ress(RKR)数据进行了比较.结果表明,CP-基态X2Σ+的势能函数ECMI势与RKR数据符合得很好,明显优于中性双原子分子势能函数Morse势和HMS势在该分子离子电子态的表现,并且ECMI势还给出了对原子分子碰撞研究非常重要的正确离解极限和全程势能数据.展开更多
The high-resolution absorption spectra of the （2,0）,（3,1）,and （8,5） bands of the A^2Π^u-X^2∑g^＋ system of ^15N2^＋ have been recorded by using velocity modulation spectroscopy technique in the near infrared r...The high-resolution absorption spectra of the （2,0）,（3,1）,and （8,5） bands of the A^2Π^u-X^2∑g^＋ system of ^15N2^＋ have been recorded by using velocity modulation spectroscopy technique in the near infrared region.The rotational constants of the X^2∑g^＋ and A^2Πu states of ^15N2^＋ were derived from the spectroscopic data.The isotope shifts of these bands of the A^2Πu-X^2∑g^＋ system of ^14N2^＋ and ^15N2^＋ were also analyzed and discussed.展开更多
文摘采用研究双原子分子离子XY+的能量自洽法(energy-consistent method for ion XY+,ECMI)研究了双原子分子负离子CP-基态X2Σ+的势能行为,得到了负离子CP-基态X2Σ+的解析势能函数ECMI势,并将这个ECMI势、中性双原子分子的势能函数如Morse势、Huxley-Murrell-Sorbie(HMS)势直接用于研究CP-基态X2Σ+势能行为得到的结果与基于实验的Rydberg-Klein-Ress(RKR)数据进行了比较.结果表明,CP-基态X2Σ+的势能函数ECMI势与RKR数据符合得很好,明显优于中性双原子分子势能函数Morse势和HMS势在该分子离子电子态的表现,并且ECMI势还给出了对原子分子碰撞研究非常重要的正确离解极限和全程势能数据.
基金supported by the National Natural Science Foundation of China(Grant No.11674096)
文摘The high-resolution absorption spectra of the （2,0）,（3,1）,and （8,5） bands of the A^2Π^u-X^2∑g^＋ system of ^15N2^＋ have been recorded by using velocity modulation spectroscopy technique in the near infrared region.The rotational constants of the X^2∑g^＋ and A^2Πu states of ^15N2^＋ were derived from the spectroscopic data.The isotope shifts of these bands of the A^2Πu-X^2∑g^＋ system of ^14N2^＋ and ^15N2^＋ were also analyzed and discussed.
