Electron- and positron-molecule scattering: development of the molecular convergent close-coupling method

被引:67
|
作者
Zammit, Mark C. [1 ,2 ,3 ]
Fursa, Dmitry V. [2 ,3 ]
Savage, Jeremy S. [2 ,3 ]
Bray, Igor [2 ,3 ]
机构
[1] Los Alamos Natl Lab, Theoret Div, Los Alamos, NM 87545 USA
[2] Curtin Univ, Curtin Inst Computat, Perth, WA 6102, Australia
[3] Curtin Univ, Dept Phys Astron & Med Radiat Sci, Perth, WA 6102, Australia
关键词
electron scattering; positron scattering; excitation; ionisation; molecular hydrogen; DIFFERENTIAL CROSS-SECTIONS; LOW-ENERGY-ELECTRON; SET SCF MOS; J-MATRIX METHOD; HYDROGEN MOLECULE; IMPACT IONIZATION; VIBRATIONAL-EXCITATION; H2+ IONS; DISSOCIATIVE-RECOMBINATION; (1,3)DELTA(G) STATES;
D O I
10.1088/1361-6455/aa6e74
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Starting from first principles, this tutorial describes the development of the adiabatic-nuclei convergent close-coupling (CCC) method and its application to electron and (single-centre) positron scattering from diatomic molecules. We give full details of the single-centre expansion CCC method, namely the formulation of the molecular target structure; solving the momentum-space coupled-channel Lippmann-Schwinger equation; deriving adiabatic-nuclei cross sections and calculating V-matrix elements. Selected results are presented for electron and positron scattering from molecular hydrogen H-2 and electron scattering from the vibrationally excited molecular hydrogen ion H-2(+) and its isotopologues (D-2(+), T-2(+), HD+, HT+ and TD+). Convergence in both the close-coupling (target state) and projectile partial-wave expansions of fixed-nuclei electron-and positron-molecule scattering calculations is demonstrated over a broad energyrange and discussed in detail. In general, the CCC results are in good agreement with experiments.
引用
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页数:35
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