Electron-impact study of AlH using the R-matrix method

被引:10
|
作者
Kaur, Savinder [1 ,2 ]
Baluja, K. L. [1 ]
机构
[1] Univ Delhi, Dept Phys & Astrophys, Delhi 110007, India
[2] Univ Delhi, Phys & Elect Dept, Sgtb Khalsa Coll, Delhi 110007, India
来源
PHYSICAL REVIEW A | 2009年 / 80卷 / 04期
关键词
aluminium compounds; binding energy; bound states; electron affinity; electron impact excitation; electron impact ionisation; HF calculations; matrix algebra; molecular electronic states; molecule-electron collisions; resonant states; BODY PERTURBATION-THEORY; SPECTROSCOPIC CONSTANTS; PROPAGATION PROGRAM; POTENTIAL CURVES; EXCITED-STATES; CROSS-SECTIONS; GROUND-STATES; PNO-CL; SCATTERING; AIH;
D O I
10.1103/PhysRevA.80.042701
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
We have carried out a comprehensive study of electron-impact on AlH molecule using the R-matrix method. Elastic (integrated and differential), momentum-transfer, excitation, and ionization cross sections along with rate coefficients have been presented at various levels of approximation. The target states are represented by including correlations via a configuration-interaction technique. The results of the static-exchange, one-state, and 20-state close-coupling approximations are presented. Our study has detected Feshbach and core-excited shape resonances in 20-state model. We detect a stable bound state of AlH- having configuration 1 sigma(2)2 sigma(2)3 sigma(2)4 sigma(2)1 pi(4)5 sigma(2)2 pi with a vertical electronic affinity value of 0.22 eV which is in good agreement with the estimated experimental value of about 0.15 eV. The ionization cross sections are calculated in binary-encounter-Bethe model in which Hartree-Fock molecular orbitals are used to calculate kinetic and binding energies of the occupied molecular orbitals.
引用
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页数:9
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