论文标题
电子撞击氢分子的电子激发的基准计算
Benchmark Calculations of Electron Impact Electronic Excitation of the Hydrogen Molecule
论文作者
论文摘要
我们使用两种不同的理论方法（即R-Matrix和Molecular Contrengent offergent offergoting（MCCC））提出了与H $ _2 $的电子碰撞的基准集成和差分横截面。这类似于有关H，He和Mg的电子原子碰撞进行的比较研究。 $ b \ ^3σ_U ^+$，$ a \ ^3σ_g ^+$，$ b \ ^1σ_U ^+$，$ c \ ^3π_U$，$ ef ^1σ_g ^+$，$ c \ ^+$，$ c \ ^+$，$ c \ ^1π_U$，$ ef ^1π_U$，$ e \ ^3σ_u ^3σ ^1σ_U ^+$和$ d \ ^3π_U$兴奋的电子状态被考虑。计算均在固定核和绝热核近似中呈现，其中仅针对$ b \ ^3σ_U ^+$状态显示后者。发现所有提出的过渡都可以达成良好的协议。如果可用，我们将与现有的实验和推荐数据进行比较。
We present benchmark integrated and differential cross-sections for electron collisions with H$_2$ using two different theoretical approaches, namely, the R-matrix and molecular convergent close-coupling (MCCC). This is similar to comparative studies conducted on electron-atom collisions for H, He and Mg. Electron impact excitation to the $b \ ^3Σ_u^+$, $a \ ^3Σ_g^+$, $B \ ^1Σ_u^+$, $c \ ^3Π_u$, $EF \ ^1Σ_g^+$, $C \ ^1Π_u$, $e \ ^3Σ_u^+$, $h \ ^3Σ_g^+$, $B' \ ^1Σ_u^+$ and $d \ ^3Π_u$ excited electronic states are considered. Calculations are presented in both the fixed nuclei and adiabatic nuclei approximations, where the latter is shown only for the $b \ ^3Σ_u^+$ state. Good agreement is found for all transitions presented. Where available, we compare with existing experimental and recommended data.
