Elastic scattering of two ground-state N atoms |
| |
Authors: | Zhang Xiao-Niu Shi De-Heng Sun Jin-Feng and Zhu Zun-Lue |
| |
Institution: | College of Physics and Information Engineering, Henan Normal University, Xinxiang 453007, China |
| |
Abstract: | An interaction potential for an N$_{2}$(X$^{1}\Sigma_{\rm
g}^{ + })$ molecule is constructed by using the highly accurate
valence internally contracted multireference configuration
interaction method and the largest basis set, aug-cc-pV6Z, in the
valence range. The potential is used to investigate the elastic
scattering of two N atoms at energies from 1.0$\times $10$^{ - 11}$
to $1.0\times 10^{ - 4}$ a.u. The derived total elastic cross
sections are very large and almost constant at ultralow
temperatures, and the shape of total elastic cross section curve is
mainly dominated by the $s$-partial wave at very low collision
energies. Three shape resonances are found in the total elastic
cross sections. Concretely, the first one is very sharp and strong.
It results from the $g$-partial-wave contribution and the resonant
energy is $3.645\times 10^{ - 6}$ a.u. The second one is contributed
by the $h$-partial wave and the resonant energy is $1.752\times 10^{
- 5}$ a.u. This resonance is broadened by those from the $d$- and
$f$-partial waves. The third one comes from the $l = 6$ partial wave
contribution and the resonant energy is $3.522\times 10^{ - 5}$ a.u.
This resonance is broadened by those from the $g$- and $h$-partial
waves. The N$_{2}$(X$^{1}\Sigma _{\rm g}^{ + })$ molecular
parameters, which are determined at the current theoretical level,
achieve very high accuracy due to the employment of the largest
correlation-consistent basis set in the valence range. |
| |
Keywords: | elastic scattering total cross section shape resonance molecular parameter |
本文献已被 维普 等数据库收录! |
| 点击此处可从《中国物理 B》浏览原始摘要信息 |
| 点击此处可从《中国物理 B》下载免费的PDF全文 |
|