Electron-impact study of PO2 using the R-matrix method

被引:5
作者
Bharadvaja, Anand [1 ,2 ]
Kaur, Savinder [1 ,3 ]
Baluja, K. L. [1 ]
机构
[1] Univ Delhi, Dept Phys & Astrophys, Delhi 110007, India
[2] Univ Delhi, Bhaskaracharya Coll Appl Sci, New Delhi 110075, India
[3] Univ Delhi, Sgtb Khalsa Coll, Dept Phys, Delhi 110007, India
来源
PHYSICAL REVIEW A | 2013年 / 87卷 / 06期
关键词
AB-INITIO CALCULATIONS; IONIZATION CROSS-SECTIONS; ORGANOPHOSPHORUS COMPOUNDS; DESTRUCTION CHEMISTRY; COUPLED-CLUSTER; PHOSPHORUS; SPECTROSCOPY; SPECTRUM; FLAMES; SCATTERING;
D O I
10.1103/PhysRevA.87.062703
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
The R-matrix approach is used to study the electron scattering from PO2 radical at low electron impact energies. The elastic scattering phenomenon is studied in static-exchange, one-state and many-states close-coupling approximation. The elastic differential cross sections, corresponding momentum-transfer cross sections, and collision frequency are calculated in the one-state configuration interaction approximation only. Calculations reveal a stable bound state of PO2- having symmetry (1)A(1), a configuration of ...8a(1)(2), ... 2b(2)(1), ... 5b(2)(2), ... 1a(2)(2), and vertical electron affinity of 2.94 eV. The excited state of anion PO2- having symmetry B-3(1) is also just bound relative to the ground state of PO2 at its equilibrium geometry. The shape, core-excited, and Feshbach resonances are analyzed in different symmetries up to 7 eV. The partial waves up to l = 4 are used to represent continuum electron. The converged cross sections are obtained for the partial waves having l greater than 4 by applying Born correction. Certain interesting spectroscopic properties of radical are also reported.
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页数:9
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