绵阳师范学院学报
綿暘師範學院學報
면양사범학원학보
Journal of Mianyang Normal University
2015年
11期
7-11
,共5页
双原子分子负离子 CP -%基态 X2∑+%能量自洽法%势能函数
雙原子分子負離子 CP -%基態 X2∑+%能量自洽法%勢能函數
쌍원자분자부리자 CP -%기태 X2∑+%능량자흡법%세능함수
diatomic molecular negative ion CP -%ground state X2∑ +%energy - consistent method%potential- energy function
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 X2∑＋的势能行为，得到了负离子 CP -基态 X2∑＋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 X2∑＋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 X2∑＋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。
採用研究雙原子分子離子 XY ＋的能量自洽法（energy - consistent method for ion XY ＋，ECMI）研究瞭雙原子分子負離子 CP -基態 X2∑＋的勢能行為，得到瞭負離子 CP -基態 X2∑＋的解析勢能函數 ECMI 勢，併將這箇ECMI 勢、中性雙原子分子的勢能函數如 Morse 勢、Huxley - Murrell - Sorbie（HMS）勢直接用于研究 CP -基態 X2∑＋勢能行為得到的結果與基于實驗的 Rydberg - Klein - Ress（RKR）數據進行瞭比較。結果錶明，CP -基態 X2∑＋的勢能函數 ECMI 勢與 RKR 數據符閤得很好，明顯優于中性雙原子分子勢能函數 Morse 勢和 HMS 勢在該分子離子電子態的錶現，併且 ECMI 勢還給齣瞭對原子分子踫撞研究非常重要的正確離解極限和全程勢能數據。
채용연구쌍원자분자리자 XY ＋적능량자흡법（energy - consistent method for ion XY ＋，ECMI）연구료쌍원자분자부리자 CP -기태 X2∑＋적세능행위，득도료부리자 CP -기태 X2∑＋적해석세능함수 ECMI 세，병장저개ECMI 세、중성쌍원자분자적세능함수여 Morse 세、Huxley - Murrell - Sorbie（HMS）세직접용우연구 CP -기태 X2∑＋세능행위득도적결과여기우실험적 Rydberg - Klein - Ress（RKR）수거진행료비교。결과표명，CP -기태 X2∑＋적세능함수 ECMI 세여 RKR 수거부합득흔호，명현우우중성쌍원자분자세능함수 Morse 세화 HMS 세재해분자리자전자태적표현，병차 ECMI 세환급출료대원자분자팽당연구비상중요적정학리해겁한화전정세능수거。
The potential - energy behavior of ground state X2 ∑ + of diatomic molecular negative ion CP - is studied with energy - consistent method for ion XY +(ECMI),the potential - energy function of CP - in X2 ∑ +state is obtained. And the ECMI potential,the results that neutral diatomic molecular potential - energy function, such as Morse potential,Huxley - Murrell - Sorbie(HMS)potential,are applied directly to study the potential -energy behavior of CP - in X2∑ + and the experimental Rydberg - Klein - Reiss(RKR)data are compared. The results showed that the ECMI potential - energy data of CP - in X2∑ + state are in agreement with RKR data,and the performance of ECMI potential is much better than neutral diatomic molecular potential - energy functions such as HMS potential and Morse potential for X2∑ + state of CP - ,and ECMI potential gives correct dissociation limits and all the potential - energy data in total region,the potential - energy data are very important for the studies of scatting problems,special in asymptotic area and dissociation area.
